diff --git a/README.md b/README.md index 1b18b61..675f4a1 100644 --- a/README.md +++ b/README.md @@ -15,6 +15,15 @@ Please cite the following references when using the software: - G. Tesei, K. Lindorff-Larsen. Improved predictions of phase behaviour of intrinsically disordered proteins by tuning the interaction range. _Open Research Europe_ (2022), 2(94). [DOI: 10.12688/openreseurope.14967.2](https://doi.org/10.12688/openreseurope.14967.2) - F. Cao, S. von Bülow, G. Tesei, K. Lindorff-Larsen. A coarse-grained model for disordered and multi-domain proteins. _Protein Science_ (2024), 33(11):e5172. [DOI: 10.1002/pro.5172](https://doi.org/10.1002/pro.5172) +## Documentation + +The software architecture of CALVADOS and illustrative examples are described in: + +S. von Bülow*, Y. Yasuda#, F. Cao#, T. K. Schulze#, A. I. Trolle#, A. S. Rauh#, R. Crehuet#, K. Lindorff-Larsen*, G. Tesei* (# equal contribution) +Software package for simulations using the coarse-grained CALVADOS model, arXiv 2025. https://doi.org/10.48550/arXiv.2504.10408 + +The examples described in the paper can be found in the `examples` folder. + ## Installation Instructions 1. Make new conda environment for calvados @@ -40,12 +49,7 @@ pip install . python -m pytest ``` -The test `test_ah_dh_interactions` simulates two free amino acids, calculates the potential energies based on the saved trajectory and compares these values with those in the OpenMM log file. - -## Contact - -Please check out the example folders and the example files `prepare_minimal.py` and `prepare.py`. -For further questions and inquiries, please contact us. +The test `test_potentials` simulates two free amino acids, calculates the potential energies based on the saved trajectory and compares these values with those in the OpenMM log file. Other tests check for correct bond order in the RNA model and correct custom restraints. ## Authors @@ -57,5 +61,7 @@ For further questions and inquiries, please contact us. [Ikki Yasuda (@iyasuda)](https://github.com/iyasuda) +[Arriën Symon Rauh (@ASRauh)](https://github.com/ASRauh) + [Kresten Lindorff-Larsen (@lindorff-larsen)](https://github.com/lindorff-larsen) diff --git a/calvados/__init__.py b/calvados/__init__.py index 4d4228c..4b3abc5 100644 --- a/calvados/__init__.py +++ b/calvados/__init__.py @@ -2,10 +2,8 @@ import calvados.build import calvados.cfg import calvados.interactions -import calvados.postprocess import calvados.sequence import calvados.sim -# import calvados.slab_conc import calvados.utilities import calvados.components diff --git a/calvados/analysis.py b/calvados/analysis.py index 3921b0f..8a7df19 100644 --- a/calvados/analysis.py +++ b/calvados/analysis.py @@ -2,25 +2,49 @@ import numba as nb import pandas as pd -import MDAnalysis -from MDAnalysis import Merge -from MDAnalysis import transformations +import MDAnalysis as mda +from MDAnalysis import Merge, transformations + from MDAnalysis.analysis import distances, rms from MDAnalysis.analysis.align import AlignTraj import mdtraj as md -from scipy.optimize import curve_fit +from tqdm import tqdm + +from scipy.optimize import curve_fit, least_squares from scipy.stats import sem from calvados.build import get_ssdomains +import matplotlib.pyplot as plt + +import os import sys from pathlib import Path PACKAGEDIR = Path(__file__).parent.absolute() sys.path.append(f'{str(PACKAGEDIR):s}/BLOCKING') from main import BlockAnalysis +def center_traj(pdb,traj,start=None,stop=None,step=1): + """ Center trajectory """ + + u = mda.Universe(pdb,traj) + + with mda.Writer(f'{traj[:-4]}_c.dcd', len(u.atoms)) as W: + for ts in u.trajectory[start:stop:step]: + u.atoms.translate(-u.atoms.center_of_geometry() + 0.5 * u.dimensions[:3]) + W.write(u.atoms) + +def subsample_traj(pdb,traj,start=None,stop=None,step=1): + """ Subsample trajectory """ + + u = mda.Universe(pdb,traj) + + with mda.Writer(f'{traj[:-4]}_sub.dcd', len(u.atoms)) as W: + for ts in u.trajectory[start:stop:step]: + W.write(u.atoms) + @nb.jit(nopython=True) def calc_energy(dmap,sig,lam,rc_lj,eps_lj,qmap, k_yu,rc_yu=4.0, @@ -133,7 +157,7 @@ def calc_wcn(comp,pos,fdomains=None,ssonly=True,r0=0.7): for i in range(N-1): for j in range(i+1,N): ss = False - if fdomains != None: + if fdomains is not None: for ssdom in ssdomains: if (i in ssdom) and (j in ssdom): ss = True @@ -145,18 +169,29 @@ def calc_wcn(comp,pos,fdomains=None,ssonly=True,r0=0.7): wcn = np.sum(wcn,axis=1) - 1. # subtract self-counting return wcn#, wcn_binary -def calc_cmap(domain0,domain1,cutoff=1.5): - """ Contact map for single configuration - - Input: Atom groups - Output: Contact map - """ - # Cutoff in nm - dmap = calc_dmap(domain0,domain1) - cmap = np.where(dmapij0],dij[ij>ij0]) perr = np.sqrt(np.diag(pcov)) verr = perr[1] # print(pcov) else: - v, pcov = curve_fit(lambda x, v: scaling_exp(x,r0,v), ij[ij0:], dij[ij0:]) + v, pcov = curve_fit(lambda x, v: scaling_exp(x,r0,v), ij[ij>ij0], dij[ij>ij0]) v = v[0] perr = np.sqrt(np.diag(pcov)) verr = perr[0] return ij, dij, r0, v, verr -def save_rg(path,name,residues_file,output_prefix,nskip,select='all'): +def save_conf_prop(path,name,residues_file,output_path,start=0,is_idr=True,select='all',cutoff=1.0, kmax=3): residues = pd.read_csv(residues_file).set_index('three') - u = MDAnalysis.Universe(f'{path:s}/top.pdb',f'{path:s}/{name:s}.dcd',in_memory=True) + u = mda.Universe(f'{path:s}/top.pdb',f'{path:s}/{name:s}.dcd',in_memory=True) ag = u.select_atoms(select) - rgs = calc_rg(u,ag,ag.resnames.tolist(),residues,start=nskip) + rgs = calc_rg(u,ag,ag.resnames.tolist(),residues,start=start) + np.save(output_path+'/rgs.npy',rgs) block_rg = BlockAnalysis(rgs) block_rg.SEM() - df_analysis = pd.DataFrame(index=['Rg'],columns=['value','error']) - df_analysis.loc['Rg','value'] = np.mean(rgs) - df_analysis.loc['Rg','error'] = block_rg.sem - df_analysis.to_csv(output_prefix+'/Rg.csv') - -def save_ree(path,name,output_prefix,nskip,select='all'): - u = MDAnalysis.Universe(f'{path:s}/top.pdb',f'{path:s}/{name:s}.dcd',in_memory=True) - ag = u.select_atoms(select) - rees, _, _ = calc_ete(u,ag,start=nskip) + rees, _, _ = calc_ete(u,ag,start=start) + np.save(output_path+'/rees.npy',rees) block_ree = BlockAnalysis(rees) block_ree.SEM() - df_analysis = pd.DataFrame(index=['Ree'],columns=['value','error']) + df_analysis = pd.DataFrame(index=['Rg','Ree'],columns=['value','error']) + df_analysis.loc['Rg','value'] = np.mean(rgs) + df_analysis.loc['Rg','error'] = block_rg.sem df_analysis.loc['Ree','value'] = np.mean(rees) df_analysis.loc['Ree','error'] = block_ree.sem - df_analysis.to_csv(output_prefix+'/Ree.csv') - -def save_nu(path,name,output_prefix,nskip,select='all'): - u = MDAnalysis.Universe(f'{path:s}/top.pdb',f'{path:s}/{name:s}.dcd',in_memory=True) + if is_idr: + ij, dij, _, nu, nu_err = fit_scaling_exp(u,ag,start=start) + df_analysis.loc['nu','value'] = nu + df_analysis.loc['nu','error'] = nu_err + np.save(output_path+'/internal_distances.npy',[ij,dij]) + df_analysis.to_csv(output_path+'/conf_prop.csv') ag = u.select_atoms(select) - _, _, _, nu, nu_err = fit_scaling_exp(u,ag,start=nskip) - df_analysis = pd.DataFrame(index=['nu'],columns=['value','error']) - df_analysis.loc['nu','value'] = nu - df_analysis.loc['nu','error'] = nu_err - df_analysis.to_csv(output_prefix+'/nu.csv') - -def convert_h(hs,Lseq,Lxy,mw): - """ - Convert slab histograms to mM and mg/ml - Requires that box x==y - Lxy in nm ! - """ - conv = 1e5/6.022/Lseq/Lxy/Lxy - hconv_mM = hs * conv # convert to protein concentration [mmol/L] - hconv_mgml = hconv_mM * 1e-3 * mw # convert to protein concentration [mg/mL] - return hconv_mM, hconv_mgml - -def calc_dG(c_dil,e_dil,c_den,e_den,ndraws=10000): - dG = np.log(c_dil/c_den) - spread_dil = np.random.normal(c_dil,e_dil,size=ndraws) - spread_den = np.random.normal(c_den,e_den,size=ndraws) - # spread_dGs = np.zeros(ndraws) - spread_dGs = [] - for idraw, (dil,den) in enumerate(zip(spread_dil,spread_den)): - if dil > 0 and den > 0: - spread_dGs.append(np.log(dil/den)) - - dG_error = np.std(spread_dGs) - return dG, dG_error - -def calc_zpatch(z,h): - cutoff = 0 - ct = 0. - ct_max = 0. - zwindow = [] - hwindow = [] - zpatch = [] - hpatch = [] - for ix, x in enumerate(h): - if x > cutoff: - ct += x - zwindow.append(z[ix]) - hwindow.append(x) + cmap = cmap_traj(u,ag,ag,cutoff,start) + for k in range(-kmax,kmax+1): # kmax: diagonals to exclude (up to kmax bonds apart) + cmap -= np.diag(np.diag(cmap,k=k),k=k) + np.save(output_path+'/cmap.npy',cmap) + +class SlabAnalysis: + def __init__(self, + name, + input_path = '.',output_path = '.', + input_pdb = 'top.pdb', input_dcd = None, + centered_dcd = 'traj.dcd', + ref_chains = None, ref_name = None, + client_chain_list = [], client_names = [], + verbose = False + ): + self.name = name + self.input_path = input_path + self.output_path = output_path + self.input_pdb = input_pdb + if input_dcd is None: + input_dcd = f'{self.name}.dcd' + self.input_dcd = input_dcd + self.centered_dcd = centered_dcd + self.ref_chains = ref_chains + self.ref_name = ref_name + if self.ref_name is None: + self.ref_name = 'ref' + self.client_chain_list = client_chain_list + self.client_names = client_names + if len(self.client_names) == 0: + self.client_names = [f'client_{idx}' for idx in range(len(self.client_chain_list))] + self.verbose = verbose + + u = mda.Universe(f'{self.input_path}/{self.input_pdb}') + self.lz, self.edges, self.z = self.calc_z_Angstr(u) + _, self.edges_nm, self.z_nm = self.calc_z_nm_centered(u) + + self.n_bins = len(self.z) + os.system(f'mkdir -p {self.output_path}') + + if self.verbose: + print(f'Input pdb: {self.input_path}/{self.input_pdb}') + print(f'Input dcd: {self.input_path}/{self.input_dcd}') + + def center(self, start=None, end=None, step=1, + center_target = 'ref'): + """ + Center slab trajectory. + center_target: 'ref' or 'all'. Define if particles for centering are from reference or whole system. + """ + + u = mda.Universe(f'{self.input_path}/{self.input_pdb}', f'{self.input_path}/{self.input_dcd}', in_memory=True) + n_frames = len(u.trajectory[start:end:step]) + if center_target == 'ref': + if self.ref_chains is None: + self.ref_chains = (0, len(u.segments)-1) + sg_ref = u.segments[self.ref_chains[0]:self.ref_chains[1]+1] + ag_ref = sg_ref.atoms + if self.verbose: + print(f'Using reference chain {self.ref_name} for centering.') + elif center_target == 'all': + ag_ref = u.atoms + if self.verbose: + print('Using all chains for centering.') else: - if ct > ct_max: - ct_max = ct - zpatch = zwindow - hpatch = hwindow - ct = 0. - zwindow = [] - hwindow = [] - zpatch = np.array(zpatch) - hpatch = np.array(hpatch) - return zpatch, hpatch - -def center_slab(path,name,ref_atoms='all',start=None,end=None,step=1,input_pdb='top.pdb'): - u = MDAnalysis.Universe(f'{path:s}/{input_pdb:s}',f'{path:s}/{name:s}.dcd',in_memory=True) - n_frames = len(u.trajectory[start:end:step]) - ag_ref = u.select_atoms(ref_atoms) - ag = u.select_atoms('all') - n_atoms = ag.n_atoms - # create list of bonds - bonds = [] - for segment in u.segments: - for i in segment.atoms.indices[:-1]: - bonds.extend([(i, i+1)]) - u.add_TopologyAttr('bonds', bonds) - L = u.dimensions[0]/10 - lz = u.dimensions[2] - edges = np.arange(0,lz+1,1) - dz = (edges[1] - edges[0]) / 2. - z = edges[:-1] + dz - n_bins = len(z) - hs = np.zeros((n_frames,n_bins)) - with MDAnalysis.Writer(f'{path:s}/traj.dcd',n_atoms) as W: + raise + ag = u.atoms + n_atoms = ag.n_atoms + # create list of bonds + bonds = [] + for segment in u.segments: + for i in segment.atoms.indices[:-1]: + bonds.extend([(i, i+1)]) + u.add_TopologyAttr('bonds', bonds) + + # hs = np.zeros((n_frames,n_bins)) + with mda.Writer(f'{self.input_path}/{self.centered_dcd}', n_atoms) as W: + for t,ts in tqdm(enumerate(u.trajectory[start:end:step]),total=n_frames): + # shift max density to center + zpos = ag_ref.positions.T[2] + h, e = np.histogram(zpos,bins=self.edges) + zmax = self.z[np.argmax(h)] + ag.translate(np.array([0,0,-zmax+0.5*self.lz])) + # wrap + ts = transformations.wrap(ag)(ts) + # shift weighted average of slab density to center + zpos = ag_ref.positions.T[2] + h, e = np.histogram(zpos, bins=self.edges) + zpatch, hpatch = self.calc_zpatch(self.z,h) + zmid = np.average(zpatch,weights=hpatch) + ag.translate(np.array([0,0,-zmid+0.5*self.lz])) + # wrap + ts = transformations.wrap(ag)(ts) + # zpos = ag_ref.positions.T[2] + # h, e = np.histogram(zpos,bins=self.edges) + # hs[t] = h + # make chains whole for trajectory output + ts = transformations.unwrap(ag)(ts) + W.write(ag) + if self.verbose: + print(f'Written {n_frames} centered frames to {self.input_path}/{self.centered_dcd}') + + def calc_profiles(self, start=None, end=None, step=1, + save_individual_profiles=True): + """ + Calculate concentration profiles for reference chains (and possible clients). + Keep start=None, end=None, step=1 if the centered trajectory is already cropped. """ + + u = mda.Universe(f'{self.input_path}/{self.input_pdb}', f'{self.input_path}/{self.centered_dcd}', in_memory=True) + + if self.ref_chains is None: + self.ref_chains = (0, len(u.segments)-1) + # ag_ref = u.atoms + # nbeads_ref = len(u.segments[0].atoms) + # else: + sg_ref = u.segments[self.ref_chains[0]:self.ref_chains[1]+1] + ag_ref = sg_ref.atoms + nbeads_ref = len(sg_ref[0].atoms) + if self.verbose: + print(f'Reference: name {self.ref_name}; chains {self.ref_chains[0]}-{self.ref_chains[1]}; nbeads: {nbeads_ref}') + + n_frames = len(u.trajectory[start:end:step]) + binwidth = 1 # 0.1 nm + volume = u.dimensions[0]*u.dimensions[1]*binwidth/1e3 # volume of a slice in nm3 + conv_ref = 10/6.02214/nbeads_ref/volume*1e3 # conversion to mM + + # Reference profile + h_ref = np.zeros((n_frames,self.n_bins)) for t,ts in enumerate(u.trajectory[start:end:step]): - # shift max density to center - zpos = ag_ref.positions.T[2] - h, e = np.histogram(zpos,bins=edges) - zmax = z[np.argmax(h)] - #ag.translate(np.array([0,0,-zmax+0.5*lz])) - ag.translate(np.array([0,0,-zmax+0.5*lz])) - ts = transformations.wrap(ag)(ts) - #ts = transformations.wrap(ag_ref)(ts) - zpos = ag_ref.positions.T[2] - h, e = np.histogram(zpos, bins=edges) - zpatch, hpatch = calc_zpatch(z,h) - zmid = np.average(zpatch,weights=hpatch) - ag.translate(np.array([0,0,-zmid+0.5*lz])) - ts = transformations.wrap(ag)(ts) + ts = transformations.wrap(ag_ref)(ts) zpos = ag_ref.positions.T[2] - h, e = np.histogram(zpos,bins=edges) - hs[t] = h - # make chains whole - ts = transformations.unwrap(ag)(ts) - W.write(ag) - return hs, z/10. - -def calc_slab_profiles(path,name,output_folder,ref_atoms,sel_atoms_list=[],start=None,end=None,step=1,input_pdb='top.pdb'): + h, e = np.histogram(zpos,bins=self.edges) + h_ref[t] = h * conv_ref # mM + if save_individual_profiles: + np.save(f'{self.output_path}/{self.name}_{self.ref_name}_profile.npy', h_ref) # in mM + + h_ref_mean = h_ref.mean(axis=0) # mM + self.all_profiles = [self.z_nm,h_ref_mean] + + # Client profiles + for i, (first,last) in enumerate(self.client_chain_list): + sg_sel = u.segments[first:last+1] + ag_sel = sg_sel.atoms + nbeads_sel = len(sg_sel[0].atoms) + if self.verbose: + print(f'Client {i}: name {self.client_names[i]}; chains {first}-{last}; nbeads: {nbeads_sel}') + # print(nbeads_sel) + conv_sel = 10/6.02214/nbeads_sel/volume*1e3 # conversion to mM + + h_sel = np.zeros((n_frames,self.n_bins)) + for t,ts in enumerate(u.trajectory[start:end:step]): + # wrap for density profile calculation + ts = transformations.wrap(ag_sel)(ts) + zpos = ag_sel.positions.T[2] + h, e = np.histogram(zpos,bins=self.edges) + h_sel[t] = h * conv_sel + + if save_individual_profiles: + np.save(f'{self.output_path}/{self.name}_{self.client_names[i]}_profile.npy', h_sel) # individual profiles + h_sel_mean = h_sel.mean(axis=0) # mM + self.all_profiles.append(h_sel_mean) + self.all_profiles = np.array(self.all_profiles) + + np.save(f'{self.output_path}/{self.name}_profiles.npy', self.all_profiles) # all trajectory-averaged profiles + if self.verbose: + print(f'Output written to {self.output_path}/') + + def calc_concentrations(self, + pden=2., pdil=8., dGmin=-10., + write_conc_arrays=True, + input_pdb='top.pdb', + plot_profiles=True): + + self.pden, self.pdil = pden, pdil + self.dGmin = dGmin + self.df_results = pd.DataFrame(dtype=object) + self.write_conc_arrays = write_conc_arrays + + # Reference concentrations + if self.ref_chains is None: + u = mda.Universe(f'{self.input_path}/'+input_pdb) + self.ref_chains = (0, len(u.segments)-1) + + h = np.load(f'{self.output_path}/{self.name}_{self.ref_name}_profile.npy') + results = self.calc_single_conc(h,ref=True) + results['first_chain'], results['last_chain'] = self.ref_chains[0], self.ref_chains[1] + self.save_conc_results(f'{self.name}_{self.ref_name}', results) + + # Client concentrations + for i, (first,last) in enumerate(self.client_chain_list): + h = np.load(f'{self.output_path}/{self.name}_{self.client_names[i]}_profile.npy') + results = self.calc_single_conc(h,ref=False) + results['first_chain'], results['last_chain'] = first, last + self.save_conc_results(f'{self.name}_{self.client_names[i]}', results) + + self.df_results.to_csv(f'{self.output_path}/{self.name}_ps_results.csv') + + def save_conc_results(self, comp_name, results): + for key, val in results.items(): + if key in ['dense_array', 'dilute_array']: + if self.write_conc_arrays: + np.save(f'{self.output_path}/{comp_name}_{key}.npy', val) + else: + self.df_results.loc[comp_name, key] = val + + def calc_single_conc(self, h, ref=True): + """ + Calculate dense and dilute phase concentrations. + path: Input path. + input_file: Concentration profile array file (e.g. A1_ref_profile.npy). + Only specify start, end, step, if the conc. profile was from an uncropped trajectory (not default). + Provided cutoffs_dense and cutoffs_dilute (e.g. from a reference profile) skip the cutoff calculation. + """ + + hm = np.mean(h,axis=0) + + if ref: + self.cutoffs_dense, self.cutoffs_dilute = self.fit_profile(self.z_nm, hm, self.pden, self.pdil) + + results = {} + results['cutoffs_dense_right'], results['cutoffs_dense_left'] = self.cutoffs_dense[0], self.cutoffs_dense[1] + results['cutoffs_dilute_right'], results['cutoffs_dilute_left'] = self.cutoffs_dilute[0], self.cutoffs_dilute[1] + + bool_dense = np.logical_and(self.z_nmself.cutoffs_dense[1]) # dense + bool_dilute = np.logical_or(self.z_nm>self.cutoffs_dilute[0],self.z_nm 2: + for idx, h in enumerate(profiles[2:]): + ax.plot(z, h, label=f'{self.client_names[idx]}') # Clients + + ax.set(xlabel='z [nm]', ylabel='Concentration [mM]') + ax.set(yscale='log') + ax.set(title=self.name) + ax.legend(fontsize=8) + + fig.tight_layout() + fig.savefig(f'{self.output_path}/{self.name}_profiles.pdf') + + @staticmethod + def calc_z_Angstr(u): + lz = u.dimensions[2] + edges = np.arange(0,lz+1,1) + dz = (edges[1] - edges[0]) / 2. + z = edges[:-1] + dz + return lz, edges, z + + @staticmethod + def calc_z_nm_centered(u): + lz = u.dimensions[2] + edges = np.arange(-lz/2.,lz/2.+0.0001,1)/10 + dz = (edges[1] - edges[0]) / 2. + z = edges[:-1] + dz + return lz, edges, z + + @staticmethod + def calc_zpatch(z,h): + cutoff = 0 + ct = 0. + ct_max = 0. + zwindow = [] + hwindow = [] + zpatch = [] + hpatch = [] + for ix, x in enumerate(h): + if x > cutoff: + ct += x + zwindow.append(z[ix]) + hwindow.append(x) + else: + if ct > ct_max: + ct_max = ct + zpatch = zwindow + hpatch = hwindow + ct = 0. + zwindow = [] + hwindow = [] + zpatch = np.array(zpatch) + hpatch = np.array(hpatch) + return zpatch, hpatch + + @staticmethod + def calc_dG(c_dil,e_dil,c_den,e_den,ndraws=10000,dGmin=-10): + # Calculate deltaG + if np.isnan(c_dil) or np.isnan(c_den): + print("Not converged, setting dG to NaN") + dG = np.nan + dG_error = np.nan + elif c_dil == 0. and c_den > 0.: + print(f'No dilute phase, setting dG to {dGmin:.1f}') + dG = dGmin + dG_error = np.nan + elif c_den == 0. and c_dil > 0.: + print(f'No dense phase, setting dG to {-dGmin:.1f}') + dG = -dGmin + dG_error = np.nan + elif c_den == 0. and c_dil == 0.: + print('No dense or dilute phase, setting dG to NaN') + dG = np.nan + dG_error = np.nan + else: + dG = np.log(c_dil/c_den) + spread_dil = np.random.normal(c_dil,e_dil,size=ndraws) + spread_den = np.random.normal(c_den,e_den,size=ndraws) + spread_dGs = [] + for idraw, (dil,den) in enumerate(zip(spread_dil,spread_den)): + if dil > 0 and den > 0: + spread_dGs.append(np.log(dil/den)) + dG_error = np.std(spread_dGs) + if dG < dGmin: + dG = dGmin + dG_error = 0. + print(f'dG extremely small, setting dG to {dGmin:.1f}') + return dG, dG_error + + @staticmethod + def fit_profile(z, hm, pden, pdil): + profile = lambda x,a,b,c,d : .5*(a+b)+.5*(b-a)*np.tanh((np.abs(x)-c)/d) # hyperbolic function, parameters correspond to csat etc. + residuals = lambda params,*args : ( args[1] - profile(args[0], *params) ) + z1 = z[z>0] + h1 = hm[z>0] + z2 = z[z<0] + h2 = hm[z<0] + p0=[1,1,1,1] + res1 = least_squares(residuals, x0=p0, args=[z1, h1], bounds=([0]*4,[100]*4)) # fit to hyperbolic function + res2 = least_squares(residuals, x0=p0, args=[z2, h2], bounds=([0]*4,[100]*4)) + + cutoffs_dense = np.array([res1.x[2]-pden*res1.x[3],-res2.x[2]+pden*res2.x[3]]) # position of interface - half width + cutoffs_dilute = np.array([res1.x[2]+pdil*res1.x[3],-res2.x[2]-pdil*res2.x[3]]) # get far enough from interface for dilute phase calculation + + return cutoffs_dense, cutoffs_dilute + + if (np.abs(cutoffs_dilute[1]/cutoffs_dilute[0]) > 2) or (np.abs(cutoffs_dilute[1]/cutoffs_dilute[0]) < 0.5): # ratio between right and left should be close to 1 + print('NOT CONVERGED',cutoffs_dense,cutoffs_dilute) + print(res1.x,res2.x) + + @staticmethod + def calc_block_errors(denarray, dilarray): + """ Block error analysis """ + + block_den = BlockAnalysis(denarray) + block_dil = BlockAnalysis(dilarray) + + block_den.SEM() + block_dil.SEM() + + eden = block_den.sem + edil = block_dil.sem + + return eden, edil + +def calc_com_traj(path,sysname,output_path,residues_file,chainid_dict={},start=None,end=None,step=1,input_pdb='top.pdb'): """ - path: path where trajectory and pdb are saved - ref_atoms: reference atoms to shift to the middle of the box - sel_atoms_list: list of extra atoms for which we calculate the density profile - output_folder: folder where output files are saved - nskip: number of frames to skip to reach equilibrium + Calculate trajectory of chain COMs and per-frame Rg's for each chain. + + Parameters: + ----------- + chainid_dict : dict + Examples: + {'name_1': 0, 'name_2': 1} + {'name_1': (0, 99), 'name_2': (100, 199)} + - Keys are component names. + - Values are integers or tuples representing the first and last chain IDs. + + The dictionary can contains as many entries as the number of components in the system. + + If the dictionary is not provided as an argument, the function assumes a + single-component system named `sysname` and calculates a COM trajectory and per-frame Rg's + for all the chains in the topology. """ - # center trajectory based on reference beads - h_ref, z = center_slab(path,name,ref_atoms,start,end,step,input_pdb) - # load centered trajectory - u = MDAnalysis.Universe(f'{path:s}/'+input_pdb,f'{path:s}/traj.dcd',in_memory=True) - n_frames = len(u.trajectory[start:end:step]) - h_ref = h_ref[start:end:step] - binwidth = 1 # 0.1 nm - # volume of a slice in nm3 - volume = u.dimensions[0]*u.dimensions[1]*binwidth/1e3 - # density profile for ref_atoms - edges = np.arange(0,z.size+binwidth,binwidth) - n_bins = edges.size - 1 - np.save(output_folder+f'/{name:s}_ref_profile.npy',np.c_[h_ref/volume.mean()]) - h_ref_mean = h_ref.mean(axis=0)/volume.mean() # number of beads per nm3 - all_profiles = np.c_[z,h_ref_mean] - # density profile: selected atoms - for i,sel_atoms in enumerate(sel_atoms_list): - ag_sel = u.select_atoms(sel_atoms) - h_sel = np.zeros((n_frames,n_bins)) - for t,ts in enumerate(u.trajectory[start:end:step]): - ts = transformations.wrap(ag_sel)(ts) - zpos = ag_sel.positions.T[2] - h, e = np.histogram(zpos,bins=edges) - h_sel[t] = h - np.save(output_folder+f'/{name:s}_sel_profile_{i:d}.npy',np.c_[h_sel/volume.mean()]) - h_sel_mean = h_sel.mean(axis=0)/volume.mean() # number of beads per nm3 - all_profiles = np.c_[all_profiles,h_sel_mean] - - np.save(output_folder+f'/{name:s}_profiles.npy',all_profiles) + if not os.path.isfile(f'{path:s}/traj.dcd'): + u = mda.Universe(f'{path:s}/{input_pdb:s}',f'{path:s}/{sysname:s}.dcd',in_memory=True) + ag = u.select_atoms('all') + n_atoms = ag.n_atoms + # create list of bonds + bonds = [] + for segment in u.segments: + for i in segment.atoms.indices[:-1]: + bonds.extend([(i, i+1)]) + u.add_TopologyAttr('bonds', bonds) + with mda.Writer(f'{path:s}/traj.dcd',n_atoms) as W: + for t,ts in enumerate(u.trajectory[start:end:step]): + # make chains whole + ts = transformations.unwrap(ag)(ts) + W.write(ag) + + traj = md.load_dcd(f'{path:s}/traj.dcd',top=f'{path:s}/'+input_pdb) + traj.xyz -= traj.unitcell_lengths[0,:]/2 + + if len(chainid_dict) == 0: + chainid_dict[sysname] = (0, traj.top.n_chains-1) + + residues = pd.read_csv(residues_file, index_col='three') + + chain_prop = {} + n_chains = 0 + for chain_name, chainids in chainid_dict.items(): + chain_prop[chain_name] = {} + if type(chainids) is int: + chainids = (chainids, chainids) + seq = [res.name for res in traj.top.chain(chainids[0]).residues] + mws = residues.loc[seq,'MW'].values + mws[0] += 2 + mws[-1] += 16 + chain_prop[chain_name]['ids'] = np.arange(chainids[0],chainids[1]+1) + n_chains += chain_prop[chain_name]['ids'].size + chain_prop[chain_name]['N'] = len(seq) + chain_prop[chain_name]['MWs'] = mws + chain_prop[chain_name]['rgs'] = [] + + # calculate traj of chain COM + cmtop = md.Topology() + xyz = np.empty((traj.n_frames,n_chains,3)) + for chain_name in chain_prop.keys(): + for chainid in chain_prop[chain_name]['ids']: + chain = traj.top.chain(chainid) + mws = chain_prop[chain_name]['MWs'] + new_chain = cmtop.add_chain() + res = cmtop.add_residue('COM', new_chain, resSeq=chainid) + cmtop.add_atom(chain_name, element=traj.top.atom(0).element, residue=res) + t_chain = traj.atom_slice(traj.top.select(f'chainid {chainid:d}')) + com = np.sum(t_chain.xyz*mws[np.newaxis,:,np.newaxis],axis=1)/mws.sum() + # calculate residue-cm distances + si = np.linalg.norm(t_chain.xyz - com[:,np.newaxis,:],axis=2) + # calculate rg + chain_rg = np.sqrt(np.sum(si**2*mws,axis=1)/mws.sum()) + chain_prop[chain_name]['rgs'].append(chain_rg.tolist()) + xyz[:,new_chain.index,:] = com + cmtraj = md.Trajectory(xyz, cmtop, traj.time, traj.unitcell_lengths, traj.unitcell_angles) + + for chain_name in chain_prop.keys(): + np.save(output_path+f'/{sysname:s}_{chain_name:s}_rg.npy',np.asarray(chain_prop[chain_name]['rgs']).T) + + # calculate radial distribution function + cmtraj[0].save_pdb(output_path+f'/{sysname:s}_com_top.pdb') + cmtraj.save_dcd(output_path+f'/{sysname:s}_com_traj.dcd') + +def calc_contact_map(path,sysname,output_path,chainid_dict={},is_slab=False,input_pdb='top.pdb'): + """ + Calculate the contact map between two sets of chain IDs specified in the given dictionary. + + Parameters: + ----------- + chainid_dict : dict + Examples: + {'name_1': 0, 'name_2': 1} + {'name_1': (0, 99), 'name_2': (100, 199)} + - Keys are component names. + - Values are integers or tuples representing the first and last chain IDs. + + If the dictionary contains only one chain entry, the function calculates a + homotypic contact map. + If the dictionary is not provided as an argument, the function assumes a + single-component system named `sysname` and calculates a homotypic contact using + all the chains in the topology. + + is_slab : bool, optional (default=False) + If True, the function calculates a contact map between chains in the midplane + of the slab and all surrounding chains. + In this case, the first item in `chainid_dict` should be the component + used to center the slab in `SlabAnalysis`. + """ + traj = md.load_dcd(f'{path:s}/traj.dcd',top=f'{path:s}/'+input_pdb) + traj.xyz -= traj.unitcell_lengths[0,:]/2 + + if len(chainid_dict) > 0: + name_1 = next(iter(chainid_dict)) + if type(chainid_dict[name_1]) is int: + chainid_dict[name_1] = (chainid_dict[name_1], chainid_dict[name_1]) + chainid_dict[name_1] = np.arange(chainid_dict[name_1][0], chainid_dict[name_1][1]+1) + if len(chainid_dict) > 1: + name_2 = next(iter(list(chainid_dict.keys())[1:])) + if type(chainid_dict[name_2]) is int: + chainid_dict[name_2] = (chainid_dict[name_2], chainid_dict[name_2]) + chainid_dict[name_2] = np.arange(chainid_dict[name_2][0], chainid_dict[name_2][1]+1) + else: + # if homotypic cmap + name_2 = name_1 + else: + name_1 = sysname + name_2 = name_1 + chainid_dict[name_1] = np.arange(traj.top.n_chains) + + N_res_1 = traj.top.chain(chainid_dict[name_1][0]).n_residues + N_res_2 = traj.top.chain(chainid_dict[name_2][0]).n_residues + + if is_slab: + if not os.path.isfile(output_path+f'/{sysname:s}_ps_results.csv'): + raise ValueError('Please run functions in SlabAnalysis class first') + else: + ps_results = pd.read_csv(output_path+f'/{sysname:s}_ps_results.csv',index_col=0).loc[f'{sysname:s}_{name_1:s}'] + z_dil = 0.5*(np.abs(ps_results.cutoffs_dilute_left) + ps_results.cutoffs_dilute_right) + z_den = 0.5*(np.abs(ps_results.cutoffs_dense_left) + ps_results.cutoffs_dense_right) + if not os.path.isfile(output_path+f'/{sysname:s}_com_traj.dcd'): + raise ValueError('Please run calc_com_traj first') + else: + cmtraj = md.load_dcd(output_path+f'/{sysname:s}_com_traj.dcd',top=output_path+f'/{sysname:s}_com_top.pdb') + + for chain_name, chainids in chainid_dict.items(): + cm_z = cmtraj.xyz[:,chainids,2] + mask_den = np.abs(cm_z) < z_den + mask_dil = np.abs(cm_z) > z_dil + rg = np.load(output_path+f'/{sysname:s}_{chain_name:s}_rg.npy') + np.save(output_path+f'/{sysname:s}_{chain_name:s}_rg_dense.npy',rg[mask_den]) + np.save(output_path+f'/{sysname:s}_{chain_name:s}_rg_dilute.npy',rg[mask_dil]) + if name_2 == name_1: + # if homotypic cmap, save a copy of all indices + name_2 = name_1 + '_homotypic' + chainid_dict[name_2] = chainid_dict[name_1] + cm_z = cmtraj.xyz[:,chainid_dict[name_1],2] + # per-frame central-chain indices + chainid_dict[name_1] = np.argmin(np.abs(cm_z),axis=1) + + cmap = np.zeros((N_res_1,N_res_2)) + for chain_1 in np.unique(chainid_dict[name_1]): + surrounding_chains = traj.top.select(' or '.join([f'chainid {i:d}' for i in chainid_dict[name_2] if i != chain_1])) + pair_indices = traj.top.select_pairs(f'chainid {chain_1:d}',surrounding_chains) + if is_slab: + mask_frames = chainid_dict[name_1] == chain_1 + else: + mask_frames = np.full(traj.n_frames, True, dtype=bool) + if np.any(mask_frames): + d = md.compute_distances(traj[mask_frames],pair_indices) + cmap += (.5-.5*np.tanh((d-1.)/.3)).reshape(mask_frames.sum(), + N_res_1,-1,N_res_2).sum(axis=0).sum(axis=1) + cmap /= traj.n_frames + # save energy and contact maps + np.save(output_path+f'/{sysname:s}_{name_1:s}_{name_2:s}_cmap.npy',cmap) diff --git a/calvados/cfg.py b/calvados/cfg.py index 4914482..33084f2 100644 --- a/calvados/cfg.py +++ b/calvados/cfg.py @@ -81,7 +81,7 @@ def write(self,path,name='components.yaml'): """ Write component file. """ self.name = name with open(f'{path}/{name}','w') as stream: - yaml.dump(self.components,stream) + yaml.dump(self.components,stream,sort_keys=False) @staticmethod def load_default_component(pkg_base,defaults): diff --git a/calvados/components.py b/calvados/components.py index e0face3..80dd9a1 100644 --- a/calvados/components.py +++ b/calvados/components.py @@ -124,7 +124,7 @@ def calc_ssdomains(self): self.ssdomains = build.get_ssdomains(self.name,self.fdomains) # print(f'Setting {self.restraint_type} restraints for {comp.name}') - def calc_go_scale(self):#, + def calc_go_scale(self, bscale_shift = 0.1, bscale_width = 80):#, # pdb_folder: str, bfac_width: float = 50., bfac_shift: float = 0.8, # pae_width: float = 8., pae_shift: float = 0.4, colabfold: int = 0): """ Calculate scaling of Go potential for all residue pairs. """ @@ -142,7 +142,26 @@ def calc_go_scale(self):#, # pae_inv = build.load_pae_inv(input_pae,colabfold=self.colabfold) # scaled_LJYU_pairlist = [] self.scale = bfac_sigm * pae_sigm # restraint scale - self.bondscale = np.maximum(0, 1. - 5.* self.scale) # residual interactions for low restraints + # self.bondscale = np.minimum(1.,np.maximum(0, 1. - 10.* (self.scale - min_scale))) # residual interactions for low restraints + self.bondscale = np.exp(-bscale_width*(self.scale-bscale_shift)) / (np.exp(-bscale_width*(self.scale-bscale_shift)) + 1) + self.curate_bondscale() + + def curate_bondscale(self, max_bscale = 0.95): + for idx in range(self.nbeads): + lower = self.bondscale[idx,:idx-3] + higher = self.bondscale[idx,idx+4:] + if idx <= 3: + others = higher + elif idx >= self.nbeads - 4: + others = lower + else: + others = np.concatenate([lower, higher]) + count = np.sum(np.where(others < max_bscale,1,0)) # count how many nonlocal restraints + # print(idx,count) + if count == 0: + for jdx in range(max(0,idx-3),min(self.nbeads,idx+4)): + self.bondscale[idx,jdx] = 1 # remove local restraints + self.bondscale[jdx,idx] = 1 # remove local restraints def calc_properties(self, pH: float = 7.0, verbose: bool = False, comp_setup: str = 'spiral'): """ Protein properties. """ @@ -167,18 +186,24 @@ def calc_properties(self, pH: float = 7.0, verbose: bool = False, comp_setup: st else: self.calc_x_setup(comp_setup = comp_setup) - def calc_bondlength(self, i, j): + def calc_bondlength(self, i, j, min_bscale = 0.05, max_bscale = 0.95): d0 = 0.5 * (self.bondlengths[i] + self.bondlengths[j]) if self.restraint: if self.restraint_type == 'harmonic': ss = build.check_ssdomain(self.ssdomains,i,j,req_both=False) d = self.dmap[i,j] if ss else d0 elif self.restraint_type == 'go': - d = self.bondscale[i,j] * d0 + (1. - self.bondscale[i,j]) * self.dmap[i,j] + if self.bondscale[i,j] > max_bscale: + d = d0 + elif self.bondscale[i,j] < min_bscale: + d = self.dmap[i,j] + else: + d = self.bondscale[i,j] * d0 + (1. - self.bondscale[i,j]) * self.dmap[i,j] else: raise ValueError("Restraint type must be harmonic or go.") else: d = d0 + # print(i,j,self.bondscale[i,j],d0,d) return d def bond_check(self, i: int, j: int): @@ -210,7 +235,7 @@ def init_restraint_force(self, eps_lj=None, cutoff_lj=None, eps_yu=None, k_yu=No self.scLJ = interactions.init_scaled_LJ(eps_lj,cutoff_lj) self.scYU = interactions.init_scaled_YU(eps_yu,k_yu) - def add_restraints(self, offset, min_scale = 0.1): + def add_restraints(self, offset, min_bscale = 0.05, max_bscale = 0.95): """ Add restraints. """ exclusion_map = [] # for ah, yu etc. for i in range(0,self.nbeads-2): @@ -226,11 +251,11 @@ def add_restraints(self, offset, min_scale = 0.1): k = self.k_harmonic # go elif self.restraint_type == 'go': - if self.scale[i,j] < min_scale: + if self.bondscale[i,j] > max_bscale: continue k = self.k_go * self.scale[i,j] # add scaled pseudo LJ, YU for low restraints - if self.bondscale[i,j] > min_scale: + if self.bondscale[i,j] > min_bscale: self.scLJ, scaled_pair = interactions.add_scaled_lj(self.scLJ, i, j, offset, self) self.scLJ_pairlist.append(scaled_pair) if self.qs[i] * self.qs[j] != 0.: @@ -485,7 +510,7 @@ def __init__(self, name: str, comp_dict: dict, defaults: dict): def calc_properties(self, pH: float = 7.0, verbose: bool = False, comp_setup: str = 'spiral'): """ Crowder properties. """ - super().calc_properties(pH=pH, verbose=verbose, comp_setup=comp_setup) + super().calc_properties(pH=pH, verbose=verbose) self.calc_x_setup(comp_setup=comp_setup) # can be overwritten in custom component @staticmethod @@ -494,3 +519,81 @@ def bond_check(i: int, j: int): condition = (j == i+1) return condition + +class Cyclic(Protein): + """ Cyclic peptide. """ + + def __init__(self, name: str, comp_dict: dict, defaults: dict): + super().__init__(name, comp_dict, defaults) + + def bond_check(self, i: int, j: int): + """ Define bonded term conditions. """ + + condition0 = (j == i+1) + condition1 = ((j == self.nbeads - 1) and i == 0) + condition = condition0 or condition1 + return condition + +class Seastar(Protein): + """ Branched peptide. """ + + def __init__(self, name: str, comp_dict: dict, defaults: dict): + super().__init__(name, comp_dict, defaults) + + def bond_check(self, i: int, j: int): + """ Define bonded term conditions. """ + + if self.n_ends in [0,1,2]: + return super().bond_check(i,j) + else: + if (self.nbeads-1) % self.n_ends == 0: + branch_length = int((self.nbeads-1) / self.n_ends) + else: + branch_length = int((self.nbeads-1) / self.n_ends) + 1 + + condition0 = (j == i+1) and ((j-1) % branch_length != 0) + condition1 = (i == 0) and ((j-1) % branch_length == 0) + + condition = condition0 or condition1 + return condition + +class PTMProtein(Protein): + """ Branched peptide. """ + + def __init__(self, name: str, comp_dict: dict, defaults: dict): + super().__init__(name, comp_dict, defaults) + + def calc_comp_seq(self): + """ Calculate sequence of Protein + PTM. """ + + records = read_fasta(self.ffasta) + self.seq = str(records[self.name].seq) # one bead seq + self.nbeads_protein = len(self.seq) + self.ptm_seq = str(records[self.ptm_name].seq) + + for ptm_idx in self.ptm_locations: # 1-based + self.seq = self.seq + self.ptm_seq + + self.n_termini = [0] + self.c_termini = [len(self.seq)-1] + + def bond_check(self, i: int, j: int): + """ Define bonded term conditions. """ + + # residue-residue bond (protein) + if (i < self.nbeads_protein - 1) and (j == i+1): + return True + + ptm_seqlocs = [] + # residue-PTM bond + for idx, ptm_loc in enumerate(self.ptm_locations): + ptm_seqloc = self.nbeads_protein + idx * len(self.ptm_seq) # position of connecting PTM bead in sequence + ptm_seqlocs.append(ptm_seqloc) + if (i == ptm_loc - 1) and (j == ptm_seqloc): + return True + + # PTM-PTM bond + if i >= self.nbeads_protein: + if (j == i+1) and (j not in ptm_seqlocs): # avoid bonding different PTMs + return True + return False \ No newline at end of file diff --git a/calvados/data/default_component.yaml b/calvados/data/default_component.yaml index 9b407b3..ea350b0 100644 --- a/calvados/data/default_component.yaml +++ b/calvados/data/default_component.yaml @@ -6,7 +6,8 @@ alpha: 0 ffasta : 'fastabib.fasta' kb : 8033.0 -restraint : False +ext_restraint : true +restraint : false cutoff_restr : 0.9 pdb_folder : 'pdbs' restraint_type : 'harmonic' @@ -29,3 +30,8 @@ rna_pa : 3.14 rna_nb_sigma : 0.4 rna_nb_scale : 15 rna_nb_cutoff : 0.6 + +n_ends : 1 + +ptm_name : 'example_ptm' +ptm_locations : [] \ No newline at end of file diff --git a/calvados/data/default_config.yaml b/calvados/data/default_config.yaml index 64cf52f..c0290f6 100644 --- a/calvados/data/default_config.yaml +++ b/calvados/data/default_config.yaml @@ -24,11 +24,17 @@ pressure : [0,0,0] boxscaling_xyz : [true,true,true] k_eq : 0.02 steps_eq : 1000 +ext_force : false +ext_force_expr : 'step(d2-18)*d2; d2=periodicdistance(x, y, z, 0, 0, z)^2' friction_coeff: 0.01 slab_width : 100 slab_outer : 40 random_number_seed : null -report_potential_energy : False +report_potential_energy : false logfreq : 1000000 gpu_id: 0 + +custom_restraints : false +custom_restraint_type : 'harmonic' +fcustom_restraints : 'custom_restraints.txt' \ No newline at end of file diff --git a/calvados/interactions.py b/calvados/interactions.py index 5089b36..47b1536 100644 --- a/calvados/interactions.py +++ b/calvados/interactions.py @@ -120,7 +120,7 @@ def init_scaled_YU(eps_yu,k_yu): scYU.setUsesPeriodicBoundaryConditions(True) return scYU -def init_eq_restraints(box,k): +def init_slab_restraints(box,k): """ Define restraints towards box center in z direction. """ mindim = np.amin(box) @@ -168,7 +168,6 @@ def add_scaled_yu(scYU, i, j, offset, comp): def add_exclusion(force, i: int, j: int): """ Add exclusions to a list of openMM forces """ - force.addExclusion(i,j) return force diff --git a/calvados/postprocess.py b/calvados/postprocess.py deleted file mode 100644 index 1b7003e..0000000 --- a/calvados/postprocess.py +++ /dev/null @@ -1,143 +0,0 @@ - -import numpy as np -import MDAnalysis as mda -from MDAnalysis import transformations - -from tqdm import tqdm - -def center_traj(pdb,traj): - """ center trajectory """ - - u = mda.Universe(pdb,traj) - - with mda.Writer(f'{traj[:-4]}_c.dcd', len(u.atoms)) as W: - for ts in u.trajectory: - u.atoms.translate(-u.atoms.center_of_geometry() + 0.5 * u.dimensions[:3]) - W.write(u.atoms) - -def subsample_traj(pdb,traj,start=None,stop=None,step=1): - """ subsample trajectory """ - u = mda.Universe(pdb,traj) - - with mda.Writer(f'{traj[:-4]}_sub.dcd', len(u.atoms)) as W: - for ts in u.trajectory[start:stop:step]: - W.write(u.atoms) - -def calc_zpatch(z,h,cutoff=0): - ct = 0. - ct_max = 0. - zwindow = [] - hwindow = [] - zpatch = [] - hpatch = [] - for ix, x in enumerate(h): - if x > cutoff: - ct += x - zwindow.append(z[ix]) - hwindow.append(x) - else: - if ct > ct_max: - ct_max = ct - zpatch = zwindow - hpatch = hwindow - ct = 0. - zwindow = [] - hwindow = [] - if ct > ct_max: # edge case (slab at side of box) - zpatch = zwindow - hpatch = hwindow - zpatch = np.array(zpatch) - hpatch = np.array(hpatch) - return zpatch, hpatch - -def center_slab(path,name,temp,start=None,end=None,step=1,input_pdb='top.pdb', - selstr_ref='all',selstr_out='all',fout=None,write_traj=True, - subsampled=False,calc_coms=False): - if subsampled: - substring = "_sub" - else: - substring = "" - u = mda.Universe(f'{path}/{input_pdb}',path+f'/{name}{substring}.dcd',in_memory=True) - - n_frames = len(u.trajectory[start:end:step]) - - ag = u.atoms # all atoms (also used for dcd output) - n_atoms = ag.n_atoms - - if calc_coms: - segs = [seg.atoms for seg in u.segments] - - ag_ref = u.select_atoms(selstr_ref) # reference group for centering - - # print(u.dimensions) - lz = u.dimensions[2] - edges = np.arange(0,lz+1,1) - dz = (edges[1] - edges[0]) / 2. - z = edges[:-1] + dz - n_bins = len(z) - nframes = len(u.trajectory[start:end:step]) - - # select group for npy output - if isinstance(selstr_out,str): - ag_out = u.select_atoms(selstr_out) - hs = np.zeros((n_frames,n_bins)) - elif isinstance(selstr_out,list): - ag_out = [u.select_atoms(s) for s in selstr_out] - hs = [np.zeros((n_frames,n_bins)) for _ in selstr_out] - - if calc_coms: - comstraj = [] - - with mda.Writer(path+'/traj.dcd',n_atoms) as W: - for t,ts in tqdm(enumerate(u.trajectory[start:end:step]), - total=nframes, mininterval=1): - # calc coms - if calc_coms: - coms = np.array([seg.center_of_mass()[2] for seg in segs]) - # shift max density to center of ag_ref - zpos = ag_ref.positions.T[2] - h, e = np.histogram(zpos,bins=edges) - zmax = z[np.argmax(h)] - ag.translate(np.array([0,0,-zmax+0.5*lz])) - if calc_coms: - coms = coms - zmax + 0.5*lz - ts = transformations.wrap(ag)(ts) # wrap - # adjust center through weighted average of ag_ref density - zpos = ag_ref.positions.T[2] - h, e = np.histogram(zpos, bins=edges) - zpatch, hpatch = calc_zpatch(z,h) - zmid = np.average(zpatch,weights=hpatch) # center of mass of slab - ag.translate(np.array([0,0,-zmid+0.5*lz])) - if calc_coms: - coms = coms - zmid + 0.5*lz - coms -= (coms // lz) * lz - coms -= 0.5*lz - coms /= 10. - comstraj.append(coms) - ts = transformations.wrap(ag)(ts) # wrap - # write dcd of all atoms - if write_traj: - W.write(ag) - # density histogram for selected atoms - if isinstance(selstr_out,str): - zpos = ag_out.positions.T[2] - h, e = np.histogram(zpos,bins=edges) - hs[t] = h - elif isinstance(selstr_out,list): # several output strings - for idx,ago in enumerate(ag_out): - if len(ago.positions) != 0: - zpos = ago.positions.T[2] - h, e = np.histogram(zpos,bins=edges) - hs[idx][t] = h - if fout == None: - fout = f'{name:s}_{temp:d}' - if isinstance(selstr_out,str): - np.save(path+f'/{fout}.npy', hs, allow_pickle=False) - elif isinstance(selstr_out,list): - for idx,h in enumerate(hs): - if np.sum(h) != 0: - np.save(path+f'/{fout[idx]}.npy', h, allow_pickle=False) - if calc_coms: - comstraj = np.array(comstraj) - np.save(path+'/coms.npy',comstraj) - return hs, z \ No newline at end of file diff --git a/calvados/sequence.py b/calvados/sequence.py index 7bb18a1..78abbf0 100644 --- a/calvados/sequence.py +++ b/calvados/sequence.py @@ -86,48 +86,45 @@ def record_from_seq(seq,name): ### SEQUENCE ANALYSIS -def get_qs(seq,flexhis=False,pH=7,calvados_version=2,residues=[]): +def get_qs(seq,flexhis=False,pH=7,residues=[]): """ charges and absolute charges vs. residues """ + qcoeff = 1. qs = [] # scaled charges - if calvados_version == 4: - qcoeff = 0.75 + if len(residues) == 0: + qs, qs_abs = get_qs_fast(seq,flexhis=flexhis,pH=pH) else: - qcoeff = 1. - if len(residues) > 0: # residue charges provided for s in seq: if flexhis and s == 'H': q = qcoeff / ( 1 + 10**(pH-6) ) else: q = residues.loc[s].q qs.append(q) - else: # guess residue charges - # histidines - if flexhis: - qhis = qcoeff / ( 1 + 10**(pH-6) ) - else: - qhis = 0. - # loop through sequence - for s in seq: - if s in ['R','K']: - qs.append(qcoeff) - elif s in ['E','D']: - qs.append(-1.*qcoeff) - elif s == 'H': - qs.append(qhis) - elif s == 'p': - qs.append(-1.*qcoeff) #p bead - else: - qs.append(0.) - qs = np.asarray(qs).astype(float) - qs_abs = np.abs(qs) + qs = np.asarray(qs).astype(float) + qs_abs = np.abs(qs) return qs, qs_abs -def frac_charges(qs): - N = len(qs) - fpos = np.sum(np.where(qs>0, 1, 0)) / N - fneg = np.sum(np.where(qs<0, 1, 0)) / N - return fpos, fneg +@nb.jit(nopython=True) +def get_qs_fast(seq,flexhis=False,pH=7.): + """ charges and absolute charges vs. residues """ + qs = np.zeros(len(seq)) + qs_abs = np.zeros(len(seq)) + + # loop through sequence + for idx in range(len(seq)): + if seq[idx] in ['R','K']: + qs[idx] = 1. + qs_abs[idx] = 1. + elif seq[idx] in ['E','D','p']: + qs[idx] = -1. + qs_abs[idx] = 1. + elif (seq[idx] == 'H') and flexhis: + qs[idx] = 1. / ( 1 + 10**(pH-6) ) + qs_abs[idx] = 1. / ( 1 + 10**(pH-6) ) + else: + qs[idx] = 0. + qs_abs[idx] = 0. + return qs, qs_abs def patch_terminal_qs(qs,n_termini,c_termini,loc='both'): qsnew = qs.copy() @@ -163,14 +160,26 @@ def seq_com(qs_abs): com = len(qs_abs) // 2 return com +# @nb.jit(nopython=True) +# def calc_SCD(seq,charge_termini=False): +# """ Sequence charge decoration, eq. 14 in Sawle & Ghosh, JCP 2015 """ +# qs, _ = get_qs_fast(seq) +# if charge_termini: +# qs[0] = qs[0] + 1. +# qs[-1] = qs[-1] - 1. +# N = len(seq) +# scd = 0. +# for idx in range(1,N): +# for jdx in range(0,idx): +# s = qs[idx] * qs[jdx] * (idx - jdx)**0.5 +# scd = scd + s +# scd = scd / N +# return scd + @nb.jit(nopython=True) -def calc_SCD(seq,charge_termini=False): +def calc_SCD(qs): """ Sequence charge decoration, eq. 14 in Sawle & Ghosh, JCP 2015 """ - qs, _ = get_qs_fast(seq) - if charge_termini: - qs[0] = qs[0] + 1. - qs[-1] = qs[-1] - 1. - N = len(seq) + N = len(qs) scd = 0. for idx in range(1,N): for jdx in range(0,idx): @@ -637,8 +646,8 @@ def construct_deltamax(seq): seqmax = calc_case3(seqpos,seqneg,seqneu) return seqmax -def calc_kappa_manual(seq): - qs, qs_abs = get_qs_fast(seq) +def calc_kappa_manual(seq,residues=[]): + qs, qs_abs = get_qs(seq,residues=residues,flexhis=False) if np.sum(qs_abs) == 0: return -1 else: @@ -681,9 +690,9 @@ def frac_charges(qs): fpos = 0. fneg = 0. for idx in range(N): - if qs[idx] > 0: + if qs[idx] >= 1: fpos = fpos + 1. - elif qs[idx] < 0: + elif qs[idx] <= -1: fneg = fneg + 1. fpos = fpos / N fneg = fneg / N @@ -699,31 +708,15 @@ def calc_sigma(qs): else: return ncpr**2 / fcr -@nb.jit(nopython=True) -def get_qs_fast(seq): - """ charges and absolute charges vs. residues """ - qs = np.zeros(len(seq)) - qs_abs = np.zeros(len(seq)) - - # loop through sequence - for idx in range(len(seq)): - if seq[idx] in ['R','K']: - qs[idx] = 1. - qs_abs[idx] = 1. - elif seq[idx] in ['E','D']: - qs[idx] = -1. - qs_abs[idx] = 1. - else: - qs[idx] = 0. - qs_abs[idx] = 0. - return qs, qs_abs - class SeqFeatures: def __init__(self,seq,residues=None,charge_termini=False,calc_dip=False, - nu_file=None,ah_intgrl_map=None,lambda_map=None): + nu_file=None,ah_intgrl_map=None,lambda_map=None,flexhis=False,pH=7.): self.seq = seq self.N = len(seq) - self.qs, self.qs_abs = get_qs_fast(seq) + if flexhis: + self.qs, self.qs_abs = get_qs(seq,flexhis=flexhis,pH=pH,residues=residues) + else: + self.qs, self.qs_abs = get_qs(seq,residues=residues) if charge_termini: self.qs[0] += 1. self.qs[-1] -= 1. @@ -731,7 +724,7 @@ def __init__(self,seq,residues=None,charge_termini=False,calc_dip=False, self.fpos, self.fneg = frac_charges(self.qs) self.ncpr = self.charge / self.N self.fcr = self.fpos+self.fneg - self.scd = calc_SCD(seq,charge_termini=charge_termini) + self.scd = calc_SCD(self.qs) self.rY, self.rF, self.rW = calc_aromatics(seq) self.faro = self.rY + self.rF + self.rW @@ -752,14 +745,22 @@ def __init__(self,seq,residues=None,charge_termini=False,calc_dip=False, ah_intgrl_map = make_ah_intgrl_map(residues) self.ah_ij = calc_ah_ij(seq,ah_intgrl_map) - q_intgrl_map = make_q_intgrl_map(residues) - self.q_ij = calc_q_ij(seq,q_intgrl_map) + # q_intgrl_map = make_q_intgrl_map(residues) + # self.q_ij = calc_q_ij(seq,q_intgrl_map) if nu_file is not None: - self.kappa = calc_kappa_manual(seq) + self.kappa = calc_kappa_manual(seq,residues=residues) if self.kappa == -1: # no charges self.kappa = 0. - feats_for_nu = [self.scd, self.shd, self.kappa, self.fcr, self.mean_lambda] + if flexhis: + self.qs_noflex, _ = get_qs(seq,residues=residues,flexhis=False) + if charge_termini: + self.qs_noflex[0] += 1. + self.qs_noflex[-1] -= 1. + self.scd_noflex = calc_SCD(self.qs_noflex) + else: + self.scd_noflex = self.scd + feats_for_nu = [self.scd_noflex, self.shd, self.kappa, self.fcr, self.mean_lambda] model_nu = load(nu_file) X_nu = np.reshape(np.array(feats_for_nu),(1,-1)) - self.nu_svr = model_nu.predict(X_nu)[0] + self.nu_svr = model_nu.predict(X_nu)[0] \ No newline at end of file diff --git a/calvados/sim.py b/calvados/sim.py index bb01c3c..bebc9ef 100644 --- a/calvados/sim.py +++ b/calvados/sim.py @@ -42,7 +42,10 @@ def __init__(self,path,config,components): self.bilayer_eq = False if self.slab_eq: - self.rcent = interactions.init_eq_restraints(self.box,self.k_eq) + self.rcent = interactions.init_slab_restraints(self.box,self.k_eq) + + if self.ext_force: + self.rcent = openmm.CustomExternalForce(self.ext_force_expr) def make_components(self): self.components = np.empty(0) @@ -66,6 +69,15 @@ def make_components(self): # Crowder component comp_setup = 'spiral' comp = RNA(name, properties, self.comp_defaults) + elif molecule_type == 'cyclic': + comp_setup = 'compact' + comp = Cyclic(name, properties, self.comp_defaults) + elif molecule_type == 'seastar': + comp_setup = 'compact' + comp = Seastar(name, properties, self.comp_defaults) + elif molecule_type == 'ptm_protein': + comp_setup = 'compact' + comp = PTMProtein(name, properties, self.comp_defaults) else: # Generic component comp_setup = 'linear' @@ -186,7 +198,7 @@ def build_system(self): self.add_particles_system(comp.mws) # add interactions + restraints - if comp.molecule_type in ['protein','crowder']: + if comp.molecule_type in ['protein','crowder','cyclic','seastar','ptm_protein']: xs = self.place_molecule(comp) elif comp.molecule_type in ['lipid','cooke_lipid']: xs = self.place_bilayer(comp) @@ -195,8 +207,12 @@ def build_system(self): self.add_interactions(comp) # add restraints towards box center - if self.slab_eq and comp.molecule_type == 'protein': - self.add_eq_restraints(comp) + if (self.slab_eq or self.ext_force) and comp.ext_restraint: + self.add_ext_restraints(comp) + + if self.custom_restraints: + self.map_custom_restraints() + self.add_custom_restraints() self.pdb_cg = f'{self.path}/top.pdb' a = md.Trajectory(self.pos, self.top, 0, self.box, [90,90,90]) @@ -225,15 +241,28 @@ def add_forces_to_system(self): if comp.restraint: print(f'Number of restraints for comp {comp.name}: {comp.cs.getNumBonds()}') + # External force + if self.ext_force: + self.system.addForce(self.rcent) + # Equilibration forces if self.slab_eq: self.system.addForce(self.rcent) + + # Custom forces + if self.custom_restraints: + self.system.addForce(self.cres) + print(f'Number of custom restraints: {self.cres.getNumBonds()}') + + # Barostat force if self.box_eq: barostat = openmm.openmm.MonteCarloAnisotropicBarostat( [self.pressure[0]*unit.bar,self.pressure[1]*unit.bar,self.pressure[2]*unit.bar], self.temp*unit.kelvin,self.boxscaling_xyz[0],self.boxscaling_xyz[1], self.boxscaling_xyz[2],1000) self.system.addForce(barostat) + + # Bilayer eq. force if self.bilayer_eq: barostat = openmm.openmm.MonteCarloMembraneBarostat(self.pressure[0]*unit.bar, 0*unit.bar*unit.nanometer, self.temp*unit.kelvin, @@ -318,14 +347,25 @@ def add_angles(self, comp, offset): exclusion_map = comp.add_angles(offset) self.add_exclusions(exclusion_map) - def add_restraints(self, comp, offset, min_scale = 0.1, exclude_nonbonded = True): + def add_restraints(self, comp, offset, exclude_nonbonded = True): """ Add restraints to single molecule. """ - # restr_pairlist = [] - exclusion_map = comp.add_restraints(offset, min_scale=min_scale) + exclusion_map = comp.add_restraints(offset) if exclude_nonbonded: # exclude ah, yu when restraining self.add_exclusions(exclusion_map) + def add_custom_restraints(self, exclude_nonbonded = True): + exclusion_map = [] + # self.custom_restr_pairs = [] + self.cres = interactions.init_restraints(self.custom_restraint_type) + for i, j, r, k in self.custom_restr_abs: # i, j, r, k + self.cres, restr_pair = interactions.add_single_restraint( + self.cres, self.custom_restraint_type, r, k, i, j) + # self.custom_restr_pairs.append(restr_pair) + exclusion_map.append([i,j]) + if exclude_nonbonded: # exclude cres when restraining + self.add_exclusions(exclusion_map) + def add_exclusions(self, exclusion_map): # exclude LJ, YU for restrained pairs for excl in exclusion_map: @@ -381,8 +421,8 @@ def add_interactions(self,comp): if comp.restraint: comp.write_restraints(self.path) - def add_eq_restraints(self,comp): - """ Add equilibration restraints. """ + def add_ext_restraints(self,comp): + """ Add external-potential restraints. """ offset = self.nparticles - comp.nbeads # to get indices of current comp in context of system for i in range(0,comp.nbeads): @@ -405,21 +445,61 @@ def add_mdtraj_topol(self, comp): self.top.add_bond(chain.atom(i), chain.atom(j)) else: for idx,resname in enumerate(comp.seq): - if comp.molecule_type == 'protein': - resname = str(seq3(resname)).upper() + if comp.molecule_type in ['protein','crowder']: + resname = comp.residues.loc[resname,'three'] res = self.top.add_residue(resname, chain, resSeq=idx+1) self.top.add_atom('CA', element=md.element.carbon, residue=res) for i in range(chain.n_atoms-1): if comp.bond_check(i,i+1): self.top.add_bond(chain.atom(i), chain.atom(i+1)) - def add_particles_system(self,mws): """ Add particles of one molecule to openMM system. """ for mw in mws: self.system.addParticle(mw*unit.amu) + def map_custom_restraints(self): + """ Map input format for custom restraints to absolute bead number """ + custom_restr = self.parse_custom_restraints(self.fcustom_restraints) + total_beads = [0] + for idx, comp in enumerate(self.components): + comp.start_bead = total_beads[-1] + total_beads.append(int(comp.nmol * comp.nbeads)) + self.custom_restr_abs = [] + for i,j,r,k in custom_restr: + print(i,j,r,k) + crestr = [] + for idx, x in enumerate([i,j]): + name, copy, bead = x[0], x[1], x[2] # 1-based + for idx, comp in enumerate(self.components): + if comp.name == name: + x_abs = comp.start_bead + (copy-1)*comp.nbeads + (bead-1) + break + crestr.append(x_abs) + crestr.append(float(r)) + crestr.append(float(k)) + self.custom_restr_abs.append(crestr) + + @staticmethod + def parse_custom_restraints(fcustom_restraints): + custom_restraints = [] + with open(fcustom_restraints,'r') as f: + for line in f.readlines(): + spl = line.split('|') + i = spl[0].split() + j = spl[1].split() + r = spl[2].split()[0] + k = spl[2].split()[1] + restr = [ + [i[0], int(i[1]), int(i[2])], + [j[0], int(j[1]), int(j[2])], + r, + k + ] + custom_restraints.append(restr) # 1-based + return custom_restraints + def simulate(self): """ Simulate. """ diff --git a/calvados/slab_conc.py b/calvados/slab_conc.py deleted file mode 100644 index 9ddef6a..0000000 --- a/calvados/slab_conc.py +++ /dev/null @@ -1,304 +0,0 @@ -import mdtraj as md -import numpy as np -import matplotlib.pyplot as plt -import matplotlib as mpl -import pandas as pd -from numba import jit -import string -from scipy.ndimage import gaussian_filter1d -from mdtraj import element -from mpl_toolkits.axes_grid1.inset_locator import inset_axes -import os -from scipy.optimize import least_squares -from scipy.stats import pearsonr, spearmanr -from scipy.optimize import curve_fit -from mpl_toolkits.axes_grid1 import make_axes_locatable -from cycler import cycler -from matplotlib.colors import LogNorm -import warnings -import itertools -warnings.filterwarnings('ignore') -import MDAnalysis as mda -import MDAnalysis.analysis.msd as msd -from statsmodels.tsa.stattools import acf -import sys -from calvados import analysis -import sys -from pathlib import Path -PACKAGEDIR = Path(__file__).parent.absolute() -sys.path.append(f'{str(PACKAGEDIR):s}/BLOCKING') -from main import BlockAnalysis - -def calcProfile(seq,name,T,L,value,error,tmin=1200,tmax=None,fbase='.', - plot=False,pairs=False,X=None,pden=3.,pdil=6.): - if not pairs: - X = name - h = np.load(f'{fbase}/{name}/{T}/{X}_{T}.npy') - # h = np.load(f'{fbase}/{name}/{T:d}/{X}.npy') - # print(h.shape) - N = len(seq) - conv = 100/6.022/N/L/L*1e3 - h = h[tmin:tmax]*conv # corresponds to (binned) concentration in mM - lz = h.shape[1]+1 - edges = np.arange(-lz/2.,lz/2.,1)/10 - dz = (edges[1]-edges[0])/2. - z = edges[:-1]+dz - profile = lambda x,a,b,c,d : .5*(a+b)+.5*(b-a)*np.tanh((np.abs(x)-c)/d) # hyperbolic function, parameters correspond to csat etc. - residuals = lambda params,*args : ( args[1] - profile(args[0], *params) ) - hm = np.mean(h,axis=0) - z1 = z[z>0] - h1 = hm[z>0] - z2 = z[z<0] - h2 = hm[z<0] - p0=[1,1,1,1] - res1 = least_squares(residuals, x0=p0, args=[z1, h1], bounds=([0]*4,[100]*4)) # fit to hyperbolic function - res2 = least_squares(residuals, x0=p0, args=[z2, h2], bounds=([0]*4,[100]*4)) - - cutoffs1 = [res1.x[2]-pden*res1.x[3],-res2.x[2]+pden*res2.x[3]] # position of interface - half width - cutoffs2 = [res1.x[2]+pdil*res1.x[3],-res2.x[2]-pdil*res2.x[3]] # get far enough from interface for dilute phase calculation - - bool1 = np.logical_and(zcutoffs1[1]) - bool2 = np.logical_or(z>cutoffs2[0],z 2) or (np.abs(cutoffs2[1]/cutoffs2[0]) < 0.5): # ratio between right and left should be close to 1 - print('NOT CONVERGED',name,cutoffs1,cutoffs2) - print(res1.x,res2.x) - - if plot: - N = 10 - fig, ax = plt.subplots(1,2,figsize=(8,4)) - ax[0].plot(z,hm) - for c1,c2 in zip(cutoffs1,cutoffs2): - ax[0].axvline(c1,color='gray') - ax[0].axvline(c2,color='black') - ax[0].set(xlabel='z [nm]', ylabel='Concentration [mM]') - ax[0].set(yscale='log') - ax[0].set(title=name) - xs = np.arange(len(h)) - dilrunavg = np.convolve(dilarray, np.ones(N)/N, mode='same') - ax[1].plot(xs,dilarray) - # ax[1].plot(xs,dilrunavg) - ax[1].set(xlabel='Timestep',ylabel='cdil [mM]') - fig.tight_layout() - - cdil = hm[bool2].mean() # average concentration - cden = hm[bool1].mean() - - block_dil = BlockAnalysis(dilarray) - block_den = BlockAnalysis(denarray) - block_dil.SEM() - block_den.SEM() - - if pairs: - value.loc[name,f'{X}_dil'] = cdil # block_dil.av - value.loc[name,f'{X}_den'] = cden # block_den.av - - error.loc[name,f'{X}_dil'] = block_dil.sem - error.loc[name,f'{X}_den'] = block_den.sem - else: - value.loc[name,'{:d}_dil'.format(T)] = cdil # block_dil.av - value.loc[name,'{:d}_den'.format(T)] = cden # cilblock_den.av - - error.loc[name,'{:d}_dil'.format(T)] = block_dil.sem - error.loc[name,'{:d}_den'.format(T)] = block_den.sem - - return(value, error) - -def calcProfile_toref(name,T,L,seqX,seqref,value,error,tmin=1200,tmax=None,fbase='.', - plot=False,X=None,ref=None,pden=3.,pdil=6.): - - # h = np.load(f'{fbase}/{m}/{T:d}/{X}_{T:d}.npy') - href = np.load(f'{fbase}/{name}/{T}/{ref}.npy') - hX = np.load(f'{fbase}/{name}/{T}/{X}.npy') - - # print(h.shape) - Nref = len(seqref) - convref = 100/6.022/Nref/L/L*1e3 - - NX = len(seqX) - convX = 100/6.022/NX/L/L*1e3 - - href = href[tmin:tmax]*convref # corresponds to (binned) concentration in mM - hX = hX[tmin:tmax]*convX - - lz = href.shape[1]+1 - edges = np.arange(-lz/2.,lz/2.,1)/10 - dz = (edges[1]-edges[0])/2. - z = edges[:-1]+dz - - profile = lambda x,a,b,c,d : .5*(a+b)+.5*(b-a)*np.tanh((np.abs(x)-c)/d) # hyperbolic function, parameters correspond to csat etc. - residuals = lambda params,*args : ( args[1] - profile(args[0], *params) ) - - hmref = np.mean(href,axis=0) - hmX = np.mean(hX,axis=0) - z1 = z[z>0] - h1 = hmref[z>0] - z2 = z[z<0] - h2 = hmref[z<0] - p0=[1,1,1,1] - res1 = least_squares(residuals, x0=p0, args=[z1, h1], bounds=([0]*4,[100]*4)) # fit to hyperbolic function - res2 = least_squares(residuals, x0=p0, args=[z2, h2], bounds=([0]*4,[100]*4)) - - cutoffs1 = [res1.x[2]-pden*res1.x[3],-res2.x[2]+pden*res2.x[3]] # position of interface - half width - cutoffs2 = [res1.x[2]+pdil*res1.x[3],-res2.x[2]-pdil*res2.x[3]] # get far enough from interface for dilute phase calculation - - bool1 = np.logical_and(zcutoffs1[1]) - bool2 = np.logical_or(z>cutoffs2[0],z 2) or (np.abs(cutoffs2[1]/cutoffs2[0]) < 0.5): # ratio between right and left should be close to 1 - print('NOT CONVERGED',name,cutoffs1,cutoffs2) - print(res1.x,res2.x) - - if plot: - N = 10 - fig, ax = plt.subplots(1,2,figsize=(8,4)) - ax[0].plot(z,hmref,color='black') - ax[0].plot(z,hmX,color='C0') - - for c1,c2 in zip(cutoffs1,cutoffs2): - ax[0].axvline(c1,color='gray') - ax[0].axvline(c2,color='black') - ax[0].set(xlabel='z [nm]', ylabel='Concentration [mM]') - ax[0].set(yscale='log') - ax[0].set(title=name) - xs = np.arange(len(hX)) - dilrunavg = np.convolve(dilarray, np.ones(N)/N, mode='same') - ax[1].plot(xs,dilarray) - # ax[1].plot(xs,dilrunavg) - ax[1].set(xlabel='Timestep',ylabel='cdil [mM]') - fig.tight_layout() - - cdil = hmX[bool2].mean() # average concentration - cden = hmX[bool1].mean() - - block_dil = BlockAnalysis(dilarray) - block_den = BlockAnalysis(denarray) - block_dil.SEM() - block_den.SEM() - - value.loc[name,f'{X}_dil'] = cdil # block_dil.av - value.loc[name,f'{X}_den'] = cden #block_den.av - - error.loc[name,f'{X}_dil'] = block_dil.sem - error.loc[name,f'{X}_den'] = block_den.sem - - return(value, error) - -def calcProfile_simple(name,temp,seq,L,vv,tmin=1200,tmax=None,step=1,fbase='.', - plot=False,pden=3.,pdil=6.,dGmin=-7): - - h = np.load(f'{fbase}/{name}/{temp}/{name}.npy') - N = len(seq) - conv = 100/6.022/N/L/L*1e3 - h = h[tmin:tmax:step]*conv # corresponds to (binned) concentration in mM - print(f'len h: {len(h)}') - lz = h.shape[1]+1 - edges = np.arange(-lz/2.,lz/2.,1)/10 - dz = (edges[1]-edges[0])/2. - z = edges[:-1]+dz - profile = lambda x,a,b,c,d : .5*(a+b)+.5*(b-a)*np.tanh((np.abs(x)-c)/d) # hyperbolic function, parameters correspond to csat etc. - residuals = lambda params,*args : ( args[1] - profile(args[0], *params) ) - hm = np.mean(h,axis=0) - z1 = z[z>0] - h1 = hm[z>0] - z2 = z[z<0] - h2 = hm[z<0] - p0=[1,1,1,1] - res1 = least_squares(residuals, x0=p0, args=[z1, h1], bounds=([0]*4,[100]*4)) # fit to hyperbolic function - res2 = least_squares(residuals, x0=p0, args=[z2, h2], bounds=([0]*4,[100]*4)) - - cutoffs1 = [res1.x[2]-pden*res1.x[3],-res2.x[2]+pden*res2.x[3]] # position of interface - half width - cutoffs2 = [res1.x[2]+pdil*res1.x[3],-res2.x[2]-pdil*res2.x[3]] # get far enough from interface for dilute phase calculation - - bool1 = np.logical_and(zcutoffs1[1]) # dense - bool2 = np.logical_or(z>cutoffs2[0],z 2) or (np.abs(cutoffs2[1]/cutoffs2[0]) < 0.5): # ratio between right and left should be close to 1 - print('NOT CONVERGED',name,cutoffs1,cutoffs2) - print(res1.x,res2.x) - - if plot: - os.system('mkdir -p figures') - N = 10 - fig, ax = plt.subplots(1,2,figsize=(8,4)) - ax[0].plot(z,hm) - for c1,c2 in zip(cutoffs1,cutoffs2): - ax[0].axvline(c1,color='gray') - ax[0].axvline(c2,color='black') - - ax[0].set(xlabel='z [nm]', ylabel='Concentration [mM]') - ax[0].set(yscale='log') - ax[0].set(title=name) - xs = np.arange(len(h)) - dilrunavg = np.convolve(dilarray, np.ones(N)/N, mode='same') - ax[1].plot(xs,dilarray) - ax[1].set(xlabel='Timestep',ylabel='cdil [mM]') - fig.tight_layout() - fig.savefig(f'figures/{name}_{temp}.pdf') - - cutoffs1 = np.array(cutoffs1) - cutoffs2 = np.array(cutoffs2) - - np.save(f'{fbase}/{name}/{temp}/cutoffs_dense.npy',cutoffs1) - np.save(f'{fbase}/{name}/{temp}/cutoffs_dilute.npy',cutoffs2) - - cdil = hm[bool2].mean() # average concentration # CHANGED - cden = hm[bool1].mean() # CHANGED - - print(f'dil: {cdil}') - print(f'den: {cden}') - - # dGs = np.log(dilarray/denarray) - - block_dil = BlockAnalysis(dilarray) - block_den = BlockAnalysis(denarray) - block_dil.SEM() - block_den.SEM() - - # cdil = block_dil.av - # cden = block_den.av - - edil = block_dil.sem - eden = block_den.sem - - # block_dG = BlockAnalysis(dGs) - # block_dG.SEM() - - if np.isnan(cdil) or np.isnan(cden): - print("Not converged, setting dG to 0") - dG = 0. - dG_error = 0. - elif cdil == 0.: - print(f'No dilute phase, setting dG to {dGmin:.1f}') - dG = dGmin - dG_error = 0. - else: - dG, dG_error = analysis.calc_dG(cdil,edil,cden,eden,ndraws=10000) - if dG < dGmin: - dG = dGmin - dG_error = 0. - print(f'dG extremely small, setting dG to {dGmin:.1f}') - vv.loc[name,'nframes'] = len(h) - - vv.loc[name,'cdil'] = cdil - vv.loc[name,'cden'] = cden - - vv.loc[name,'edil'] = edil - vv.loc[name,'eden'] = eden - - vv.loc[name,'dG'] = dG - vv.loc[name,'dG_error'] = dG_error - - return(vv) \ No newline at end of file diff --git a/calvados/utilities.py b/calvados/utilities.py index 6507cb4..63a52ed 100644 --- a/calvados/utilities.py +++ b/calvados/utilities.py @@ -12,3 +12,16 @@ def autocorr(x,norm=True): c = np.correlate(x,y,mode='full') c = c[len(c)//2:] return c + +def calc_runavg(xs,N=10): + xs_ravg = [] + for idx, x in enumerate(range(len(xs))): + # if x == np.nan: + # xs_ravg.append(np.nan) + # else: + x0 = max(0,idx-N) + x1 = min(len(xs), idx+N+1) + y = np.nanmean(xs[x0:x1]) + xs_ravg.append(y) + xs_ravg = np.array(xs_ravg) + return xs_ravg \ No newline at end of file diff --git a/examples/custom_restraints/README.md b/examples/custom_restraints/README.md new file mode 100644 index 0000000..804ff39 --- /dev/null +++ b/examples/custom_restraints/README.md @@ -0,0 +1,8 @@ +The lines below run simulations of full-length A1 with custom restraints between folded domains: + +```bash +python prepare.py --name +python /run.py --path +``` + +where `` (hnRNPA1S) is a protein for which a PDB file and the residues of the folded domains are provided in the `input` folder. diff --git a/examples/custom_restraints/input/cres.txt b/examples/custom_restraints/input/cres.txt new file mode 100644 index 0000000..9607805 --- /dev/null +++ b/examples/custom_restraints/input/cres.txt @@ -0,0 +1,8 @@ +hnRNPA1S 1 72 | hnRNPA1S 1 157 | 0.559 700.0 +hnRNPA1S 1 73 | hnRNPA1S 1 161 | 1.072 700.0 +hnRNPA1S 1 75 | hnRNPA1S 1 155 | 0.765 700.0 +hnRNPA1S 1 75 | hnRNPA1S 1 156 | 0.810 700.0 +hnRNPA1S 1 87 | hnRNPA1S 1 156 | 0.704 700.0 +hnRNPA1S 1 88 | hnRNPA1S 1 157 | 0.523 700.0 +hnRNPA1S 1 88 | hnRNPA1S 1 160 | 0.546 700.0 +hnRNPA1S 1 88 | hnRNPA1S 1 161 | 0.682 700.0 diff --git a/examples/custom_restraints/input/domains.yaml b/examples/custom_restraints/input/domains.yaml new file mode 100644 index 0000000..0f3ea9f --- /dev/null +++ b/examples/custom_restraints/input/domains.yaml @@ -0,0 +1,3 @@ +hnRNPA1S: + - [11,89] + - [105,179] diff --git a/examples/custom_restraints/input/hnRNPA1S.pdb b/examples/custom_restraints/input/hnRNPA1S.pdb new file mode 100644 index 0000000..14ca375 --- /dev/null +++ b/examples/custom_restraints/input/hnRNPA1S.pdb @@ -0,0 +1,4573 @@ +ATOM 1 N MET A 1 28.432 -19.673 16.583 1.00 38.38 N +ATOM 2 H MET A 1 29.381 -19.752 16.918 1.00 38.38 H +ATOM 3 H2 MET A 1 28.402 -19.943 15.610 1.00 38.38 H +ATOM 4 H3 MET A 1 27.839 -20.299 17.108 1.00 38.38 H +ATOM 5 CA MET A 1 27.953 -18.282 16.712 1.00 38.38 C +ATOM 6 HA MET A 1 27.922 -17.996 17.763 1.00 38.38 H +ATOM 7 C MET A 1 26.538 -18.220 16.162 1.00 38.38 C +ATOM 8 CB MET A 1 28.869 -17.294 15.968 1.00 38.38 C +ATOM 9 HB2 MET A 1 28.959 -17.580 14.920 1.00 38.38 H +ATOM 10 HB3 MET A 1 28.417 -16.304 16.018 1.00 38.38 H +ATOM 11 O MET A 1 26.358 -18.301 14.956 1.00 38.38 O +ATOM 12 CG MET A 1 30.270 -17.214 16.586 1.00 38.38 C +ATOM 13 HG2 MET A 1 30.177 -17.047 17.659 1.00 38.38 H +ATOM 14 HG3 MET A 1 30.795 -18.155 16.422 1.00 38.38 H +ATOM 15 SD MET A 1 31.260 -15.870 15.892 1.00 38.38 S +ATOM 16 CE MET A 1 32.820 -16.102 16.787 1.00 38.38 C +ATOM 17 HE1 MET A 1 33.228 -17.090 16.573 1.00 38.38 H +ATOM 18 HE2 MET A 1 32.651 -15.999 17.859 1.00 38.38 H +ATOM 19 HE3 MET A 1 33.536 -15.344 16.467 1.00 38.38 H +ATOM 20 N SER A 2 25.535 -18.186 17.034 1.00 43.66 N +ATOM 21 H SER A 2 25.706 -18.132 18.028 1.00 43.66 H +ATOM 22 CA SER A 2 24.135 -17.964 16.665 1.00 43.66 C +ATOM 23 HA SER A 2 23.852 -18.603 15.828 1.00 43.66 H +ATOM 24 C SER A 2 23.991 -16.504 16.252 1.00 43.66 C +ATOM 25 CB SER A 2 23.237 -18.303 17.865 1.00 43.66 C +ATOM 26 HB2 SER A 2 23.115 -19.385 17.917 1.00 43.66 H +ATOM 27 HB3 SER A 2 22.254 -17.847 17.746 1.00 43.66 H +ATOM 28 O SER A 2 24.005 -15.620 17.107 1.00 43.66 O +ATOM 29 OG SER A 2 23.847 -17.863 19.068 1.00 43.66 O +ATOM 30 HG SER A 2 23.640 -16.932 19.173 1.00 43.66 H +ATOM 31 N LYS A 3 23.945 -16.241 14.942 1.00 46.34 N +ATOM 32 H LYS A 3 23.978 -17.016 14.295 1.00 46.34 H +ATOM 33 CA LYS A 3 23.637 -14.912 14.414 1.00 46.34 C +ATOM 34 HA LYS A 3 24.357 -14.194 14.808 1.00 46.34 H +ATOM 35 C LYS A 3 22.251 -14.572 14.952 1.00 46.34 C +ATOM 36 CB LYS A 3 23.721 -14.941 12.873 1.00 46.34 C +ATOM 37 HB2 LYS A 3 22.808 -15.368 12.457 1.00 46.34 H +ATOM 38 HB3 LYS A 3 24.548 -15.594 12.593 1.00 46.34 H +ATOM 39 O LYS A 3 21.284 -15.238 14.600 1.00 46.34 O +ATOM 40 CG LYS A 3 23.987 -13.566 12.236 1.00 46.34 C +ATOM 41 HG2 LYS A 3 24.876 -13.132 12.692 1.00 46.34 H +ATOM 42 HG3 LYS A 3 23.138 -12.908 12.417 1.00 46.34 H +ATOM 43 CD LYS A 3 24.221 -13.713 10.720 1.00 46.34 C +ATOM 44 HD2 LYS A 3 24.992 -14.465 10.550 1.00 46.34 H +ATOM 45 HD3 LYS A 3 23.294 -14.047 10.253 1.00 46.34 H +ATOM 46 CE LYS A 3 24.671 -12.386 10.093 1.00 46.34 C +ATOM 47 HE2 LYS A 3 23.899 -11.638 10.278 1.00 46.34 H +ATOM 48 HE3 LYS A 3 25.577 -12.051 10.599 1.00 46.34 H +ATOM 49 NZ LYS A 3 24.920 -12.511 8.632 1.00 46.34 N +ATOM 50 HZ1 LYS A 3 25.206 -11.621 8.249 1.00 46.34 H +ATOM 51 HZ2 LYS A 3 25.647 -13.186 8.443 1.00 46.34 H +ATOM 52 HZ3 LYS A 3 24.078 -12.795 8.152 1.00 46.34 H +ATOM 53 N SER A 4 22.192 -13.631 15.886 1.00 44.28 N +ATOM 54 H SER A 4 23.049 -13.193 16.195 1.00 44.28 H +ATOM 55 CA SER A 4 20.958 -13.036 16.371 1.00 44.28 C +ATOM 56 HA SER A 4 20.308 -13.798 16.801 1.00 44.28 H +ATOM 57 C SER A 4 20.272 -12.410 15.163 1.00 44.28 C +ATOM 58 CB SER A 4 21.297 -11.989 17.444 1.00 44.28 C +ATOM 59 HB2 SER A 4 20.400 -11.429 17.708 1.00 44.28 H +ATOM 60 HB3 SER A 4 21.673 -12.494 18.334 1.00 44.28 H +ATOM 61 O SER A 4 20.575 -11.276 14.794 1.00 44.28 O +ATOM 62 OG SER A 4 22.292 -11.106 16.957 1.00 44.28 O +ATOM 63 HG SER A 4 21.899 -10.647 16.210 1.00 44.28 H +ATOM 64 N GLU A 5 19.431 -13.178 14.473 1.00 52.56 N +ATOM 65 H GLU A 5 19.334 -14.153 14.719 1.00 52.56 H +ATOM 66 CA GLU A 5 18.447 -12.601 13.576 1.00 52.56 C +ATOM 67 HA GLU A 5 18.930 -11.949 12.849 1.00 52.56 H +ATOM 68 C GLU A 5 17.572 -11.736 14.473 1.00 52.56 C +ATOM 69 CB GLU A 5 17.643 -13.680 12.820 1.00 52.56 C +ATOM 70 HB2 GLU A 5 16.677 -13.259 12.541 1.00 52.56 H +ATOM 71 HB3 GLU A 5 17.472 -14.539 13.469 1.00 52.56 H +ATOM 72 O GLU A 5 16.730 -12.232 15.220 1.00 52.56 O +ATOM 73 CG GLU A 5 18.349 -14.119 11.526 1.00 52.56 C +ATOM 74 HG2 GLU A 5 18.569 -13.230 10.935 1.00 52.56 H +ATOM 75 HG3 GLU A 5 19.299 -14.587 11.781 1.00 52.56 H +ATOM 76 CD GLU A 5 17.515 -15.092 10.675 1.00 52.56 C +ATOM 77 OE1 GLU A 5 17.554 -14.939 9.426 1.00 52.56 O +ATOM 78 OE2 GLU A 5 16.862 -15.987 11.246 1.00 52.56 O +ATOM 79 N SER A 6 17.816 -10.425 14.440 1.00 51.84 N +ATOM 80 H SER A 6 18.573 -10.087 13.863 1.00 51.84 H +ATOM 81 CA SER A 6 16.767 -9.457 14.719 1.00 51.84 C +ATOM 82 HA SER A 6 16.615 -9.401 15.797 1.00 51.84 H +ATOM 83 C SER A 6 15.502 -9.966 14.027 1.00 51.84 C +ATOM 84 CB SER A 6 17.160 -8.073 14.178 1.00 51.84 C +ATOM 85 HB2 SER A 6 16.260 -7.497 13.964 1.00 51.84 H +ATOM 86 HB3 SER A 6 17.728 -7.549 14.946 1.00 51.84 H +ATOM 87 O SER A 6 15.614 -10.453 12.895 1.00 51.84 O +ATOM 88 OG SER A 6 17.968 -8.162 13.011 1.00 51.84 O +ATOM 89 HG SER A 6 17.939 -7.314 12.562 1.00 51.84 H +ATOM 90 N PRO A 7 14.330 -9.943 14.689 1.00 55.38 N +ATOM 91 CA PRO A 7 13.101 -10.411 14.070 1.00 55.38 C +ATOM 92 HA PRO A 7 13.162 -11.481 13.871 1.00 55.38 H +ATOM 93 C PRO A 7 12.950 -9.649 12.758 1.00 55.38 C +ATOM 94 CB PRO A 7 11.982 -10.135 15.080 1.00 55.38 C +ATOM 95 HB2 PRO A 7 11.062 -9.804 14.598 1.00 55.38 H +ATOM 96 HB3 PRO A 7 11.797 -11.037 15.663 1.00 55.38 H +ATOM 97 O PRO A 7 12.710 -8.443 12.759 1.00 55.38 O +ATOM 98 CG PRO A 7 12.561 -9.056 15.995 1.00 55.38 C +ATOM 99 HG2 PRO A 7 12.376 -8.073 15.561 1.00 55.38 H +ATOM 100 HG3 PRO A 7 12.147 -9.112 17.002 1.00 55.38 H +ATOM 101 CD PRO A 7 14.061 -9.341 15.983 1.00 55.38 C +ATOM 102 HD2 PRO A 7 14.311 -10.052 16.770 1.00 55.38 H +ATOM 103 HD3 PRO A 7 14.613 -8.411 16.119 1.00 55.38 H +ATOM 104 N LYS A 8 13.218 -10.339 11.644 1.00 71.25 N +ATOM 105 H LYS A 8 13.559 -11.284 11.744 1.00 71.25 H +ATOM 106 CA LYS A 8 13.161 -9.737 10.320 1.00 71.25 C +ATOM 107 HA LYS A 8 13.859 -8.901 10.271 1.00 71.25 H +ATOM 108 C LYS A 8 11.756 -9.194 10.179 1.00 71.25 C +ATOM 109 CB LYS A 8 13.491 -10.764 9.228 1.00 71.25 C +ATOM 110 HB2 LYS A 8 13.106 -10.398 8.276 1.00 71.25 H +ATOM 111 HB3 LYS A 8 12.995 -11.706 9.457 1.00 71.25 H +ATOM 112 O LYS A 8 10.792 -9.914 10.454 1.00 71.25 O +ATOM 113 CG LYS A 8 15.004 -10.982 9.080 1.00 71.25 C +ATOM 114 HG2 LYS A 8 15.460 -10.068 8.699 1.00 71.25 H +ATOM 115 HG3 LYS A 8 15.441 -11.219 10.050 1.00 71.25 H +ATOM 116 CD LYS A 8 15.278 -12.140 8.113 1.00 71.25 C +ATOM 117 HD2 LYS A 8 14.937 -13.063 8.582 1.00 71.25 H +ATOM 118 HD3 LYS A 8 14.728 -11.984 7.185 1.00 71.25 H +ATOM 119 CE LYS A 8 16.772 -12.245 7.803 1.00 71.25 C +ATOM 120 HE2 LYS A 8 17.327 -12.136 8.734 1.00 71.25 H +ATOM 121 HE3 LYS A 8 17.050 -11.427 7.137 1.00 71.25 H +ATOM 122 NZ LYS A 8 17.095 -13.559 7.200 1.00 71.25 N +ATOM 123 HZ1 LYS A 8 18.047 -13.590 6.865 1.00 71.25 H +ATOM 124 HZ2 LYS A 8 17.056 -14.250 7.936 1.00 71.25 H +ATOM 125 HZ3 LYS A 8 16.443 -13.821 6.475 1.00 71.25 H +ATOM 126 N GLU A 9 11.653 -7.935 9.776 1.00 84.50 N +ATOM 127 H GLU A 9 12.490 -7.382 9.656 1.00 84.50 H +ATOM 128 CA GLU A 9 10.370 -7.303 9.502 1.00 84.50 C +ATOM 129 HA GLU A 9 9.882 -7.095 10.454 1.00 84.50 H +ATOM 130 C GLU A 9 9.519 -8.257 8.644 1.00 84.50 C +ATOM 131 CB GLU A 9 10.582 -5.985 8.757 1.00 84.50 C +ATOM 132 HB2 GLU A 9 9.613 -5.540 8.533 1.00 84.50 H +ATOM 133 HB3 GLU A 9 11.079 -6.214 7.814 1.00 84.50 H +ATOM 134 O GLU A 9 10.079 -8.955 7.777 1.00 84.50 O +ATOM 135 CG GLU A 9 11.419 -4.981 9.565 1.00 84.50 C +ATOM 136 HG2 GLU A 9 12.330 -5.458 9.928 1.00 84.50 H +ATOM 137 HG3 GLU A 9 10.838 -4.656 10.428 1.00 84.50 H +ATOM 138 CD GLU A 9 11.823 -3.789 8.698 1.00 84.50 C +ATOM 139 OE1 GLU A 9 11.613 -2.647 9.141 1.00 84.50 O +ATOM 140 OE2 GLU A 9 12.320 -4.043 7.576 1.00 84.50 O +ATOM 141 N PRO A 10 8.197 -8.344 8.880 1.00 90.62 N +ATOM 142 CA PRO A 10 7.343 -9.277 8.159 1.00 90.62 C +ATOM 143 HA PRO A 10 7.559 -10.286 8.512 1.00 90.62 H +ATOM 144 C PRO A 10 7.581 -9.188 6.648 1.00 90.62 C +ATOM 145 CB PRO A 10 5.910 -8.894 8.540 1.00 90.62 C +ATOM 146 HB2 PRO A 10 5.521 -8.151 7.845 1.00 90.62 H +ATOM 147 HB3 PRO A 10 5.254 -9.765 8.567 1.00 90.62 H +ATOM 148 O PRO A 10 7.562 -8.094 6.088 1.00 90.62 O +ATOM 149 CG PRO A 10 6.059 -8.257 9.922 1.00 90.62 C +ATOM 150 HG2 PRO A 10 6.052 -9.037 10.684 1.00 90.62 H +ATOM 151 HG3 PRO A 10 5.275 -7.525 10.116 1.00 90.62 H +ATOM 152 CD PRO A 10 7.439 -7.606 9.880 1.00 90.62 C +ATOM 153 HD2 PRO A 10 7.357 -6.562 9.576 1.00 90.62 H +ATOM 154 HD3 PRO A 10 7.899 -7.674 10.865 1.00 90.62 H +ATOM 155 N GLU A 11 7.793 -10.329 5.977 1.00 92.50 N +ATOM 156 H GLU A 11 7.833 -11.194 6.497 1.00 92.50 H +ATOM 157 CA GLU A 11 8.092 -10.372 4.531 1.00 92.50 C +ATOM 158 HA GLU A 11 9.065 -9.917 4.346 1.00 92.50 H +ATOM 159 C GLU A 11 7.066 -9.578 3.718 1.00 92.50 C +ATOM 160 CB GLU A 11 8.110 -11.833 4.045 1.00 92.50 C +ATOM 161 HB2 GLU A 11 7.090 -12.219 4.055 1.00 92.50 H +ATOM 162 HB3 GLU A 11 8.711 -12.429 4.731 1.00 92.50 H +ATOM 163 O GLU A 11 7.419 -8.873 2.781 1.00 92.50 O +ATOM 164 CG GLU A 11 8.699 -11.971 2.630 1.00 92.50 C +ATOM 165 HG2 GLU A 11 9.778 -11.851 2.719 1.00 92.50 H +ATOM 166 HG3 GLU A 11 8.313 -11.180 1.986 1.00 92.50 H +ATOM 167 CD GLU A 11 8.391 -13.325 1.972 1.00 92.50 C +ATOM 168 OE1 GLU A 11 8.025 -13.329 0.763 1.00 92.50 O +ATOM 169 OE2 GLU A 11 8.486 -14.339 2.696 1.00 92.50 O +ATOM 170 N GLN A 12 5.803 -9.624 4.145 1.00 93.25 N +ATOM 171 H GLN A 12 5.601 -10.215 4.938 1.00 93.25 H +ATOM 172 CA GLN A 12 4.708 -8.881 3.537 1.00 93.25 C +ATOM 173 HA GLN A 12 4.574 -9.256 2.522 1.00 93.25 H +ATOM 174 C GLN A 12 4.962 -7.368 3.444 1.00 93.25 C +ATOM 175 CB GLN A 12 3.442 -9.157 4.365 1.00 93.25 C +ATOM 176 HB2 GLN A 12 3.309 -10.234 4.470 1.00 93.25 H +ATOM 177 HB3 GLN A 12 3.558 -8.730 5.361 1.00 93.25 H +ATOM 178 O GLN A 12 4.574 -6.760 2.451 1.00 93.25 O +ATOM 179 CG GLN A 12 2.182 -8.568 3.718 1.00 93.25 C +ATOM 180 HG2 GLN A 12 1.315 -8.813 4.331 1.00 93.25 H +ATOM 181 HG3 GLN A 12 2.257 -7.482 3.666 1.00 93.25 H +ATOM 182 CD GLN A 12 1.966 -9.144 2.327 1.00 93.25 C +ATOM 183 NE2 GLN A 12 1.843 -8.344 1.307 1.00 93.25 N +ATOM 184 HE21 GLN A 12 1.751 -8.781 0.401 1.00 93.25 H +ATOM 185 HE22 GLN A 12 1.940 -7.342 1.382 1.00 93.25 H +ATOM 186 OE1 GLN A 12 1.919 -10.343 2.117 1.00 93.25 O +ATOM 187 N LEU A 13 5.600 -6.762 4.453 1.00 94.25 N +ATOM 188 H LEU A 13 5.999 -7.332 5.184 1.00 94.25 H +ATOM 189 CA LEU A 13 5.923 -5.328 4.466 1.00 94.25 C +ATOM 190 HA LEU A 13 5.079 -4.763 4.069 1.00 94.25 H +ATOM 191 C LEU A 13 7.120 -4.999 3.571 1.00 94.25 C +ATOM 192 CB LEU A 13 6.210 -4.863 5.906 1.00 94.25 C +ATOM 193 HB2 LEU A 13 7.092 -5.387 6.276 1.00 94.25 H +ATOM 194 HB3 LEU A 13 6.452 -3.800 5.873 1.00 94.25 H +ATOM 195 O LEU A 13 7.262 -3.862 3.130 1.00 94.25 O +ATOM 196 CG LEU A 13 5.066 -5.055 6.914 1.00 94.25 C +ATOM 197 HG LEU A 13 4.860 -6.119 7.029 1.00 94.25 H +ATOM 198 CD1 LEU A 13 5.459 -4.488 8.274 1.00 94.25 C +ATOM 199 HD11 LEU A 13 6.419 -4.900 8.585 1.00 94.25 H +ATOM 200 HD12 LEU A 13 4.701 -4.733 9.017 1.00 94.25 H +ATOM 201 HD13 LEU A 13 5.562 -3.405 8.211 1.00 94.25 H +ATOM 202 CD2 LEU A 13 3.789 -4.357 6.466 1.00 94.25 C +ATOM 203 HD21 LEU A 13 3.422 -4.850 5.566 1.00 94.25 H +ATOM 204 HD22 LEU A 13 3.985 -3.304 6.261 1.00 94.25 H +ATOM 205 HD23 LEU A 13 3.030 -4.436 7.245 1.00 94.25 H +ATOM 206 N ARG A 14 7.955 -6.004 3.292 1.00 96.19 N +ATOM 207 H ARG A 14 7.735 -6.909 3.683 1.00 96.19 H +ATOM 208 CA ARG A 14 9.176 -5.902 2.487 1.00 96.19 C +ATOM 209 HA ARG A 14 9.517 -4.867 2.503 1.00 96.19 H +ATOM 210 C ARG A 14 8.983 -6.297 1.022 1.00 96.19 C +ATOM 211 CB ARG A 14 10.288 -6.711 3.146 1.00 96.19 C +ATOM 212 HB2 ARG A 14 9.961 -7.741 3.287 1.00 96.19 H +ATOM 213 HB3 ARG A 14 11.157 -6.701 2.488 1.00 96.19 H +ATOM 214 O ARG A 14 9.933 -6.265 0.242 1.00 96.19 O +ATOM 215 CG ARG A 14 10.693 -6.081 4.485 1.00 96.19 C +ATOM 216 HG2 ARG A 14 9.874 -6.135 5.202 1.00 96.19 H +ATOM 217 HG3 ARG A 14 10.944 -5.033 4.320 1.00 96.19 H +ATOM 218 CD ARG A 14 11.918 -6.787 5.055 1.00 96.19 C +ATOM 219 HD2 ARG A 14 12.696 -6.819 4.292 1.00 96.19 H +ATOM 220 HD3 ARG A 14 12.300 -6.199 5.890 1.00 96.19 H +ATOM 221 NE ARG A 14 11.585 -8.139 5.533 1.00 96.19 N +ATOM 222 HE ARG A 14 11.115 -8.181 6.426 1.00 96.19 H +ATOM 223 NH1 ARG A 14 12.374 -9.418 3.777 1.00 96.19 N +ATOM 224 HH11 ARG A 14 12.495 -10.303 3.306 1.00 96.19 H +ATOM 225 HH12 ARG A 14 12.715 -8.590 3.311 1.00 96.19 H +ATOM 226 NH2 ARG A 14 11.363 -10.369 5.523 1.00 96.19 N +ATOM 227 HH21 ARG A 14 11.444 -11.269 5.073 1.00 96.19 H +ATOM 228 HH22 ARG A 14 10.891 -10.236 6.406 1.00 96.19 H +ATOM 229 CZ ARG A 14 11.790 -9.291 4.933 1.00 96.19 C +ATOM 230 N LYS A 15 7.771 -6.709 0.647 1.00 97.44 N +ATOM 231 H LYS A 15 7.046 -6.701 1.350 1.00 97.44 H +ATOM 232 CA LYS A 15 7.459 -7.271 -0.667 1.00 97.44 C +ATOM 233 HA LYS A 15 8.398 -7.513 -1.165 1.00 97.44 H +ATOM 234 C LYS A 15 6.727 -6.265 -1.545 1.00 97.44 C +ATOM 235 CB LYS A 15 6.701 -8.588 -0.471 1.00 97.44 C +ATOM 236 HB2 LYS A 15 7.252 -9.173 0.265 1.00 97.44 H +ATOM 237 HB3 LYS A 15 5.703 -8.393 -0.078 1.00 97.44 H +ATOM 238 O LYS A 15 5.694 -5.719 -1.159 1.00 97.44 O +ATOM 239 CG LYS A 15 6.619 -9.422 -1.756 1.00 97.44 C +ATOM 240 HG2 LYS A 15 7.625 -9.515 -2.165 1.00 97.44 H +ATOM 241 HG3 LYS A 15 5.993 -8.931 -2.502 1.00 97.44 H +ATOM 242 CD LYS A 15 6.061 -10.817 -1.434 1.00 97.44 C +ATOM 243 HD2 LYS A 15 6.425 -11.116 -0.451 1.00 97.44 H +ATOM 244 HD3 LYS A 15 4.972 -10.793 -1.406 1.00 97.44 H +ATOM 245 CE LYS A 15 6.558 -11.836 -2.463 1.00 97.44 C +ATOM 246 HE2 LYS A 15 5.841 -11.940 -3.277 1.00 97.44 H +ATOM 247 HE3 LYS A 15 7.489 -11.454 -2.881 1.00 97.44 H +ATOM 248 NZ LYS A 15 6.863 -13.140 -1.815 1.00 97.44 N +ATOM 249 HZ1 LYS A 15 7.483 -13.700 -2.383 1.00 97.44 H +ATOM 250 HZ2 LYS A 15 6.043 -13.659 -1.537 1.00 97.44 H +ATOM 251 HZ3 LYS A 15 7.388 -13.006 -0.963 1.00 97.44 H +ATOM 252 N LEU A 16 7.219 -6.084 -2.764 1.00 98.12 N +ATOM 253 H LEU A 16 8.073 -6.570 -2.998 1.00 98.12 H +ATOM 254 CA LEU A 16 6.575 -5.314 -3.821 1.00 98.12 C +ATOM 255 HA LEU A 16 5.733 -4.761 -3.404 1.00 98.12 H +ATOM 256 C LEU A 16 6.018 -6.240 -4.900 1.00 98.12 C +ATOM 257 CB LEU A 16 7.556 -4.298 -4.425 1.00 98.12 C +ATOM 258 HB2 LEU A 16 7.083 -3.842 -5.295 1.00 98.12 H +ATOM 259 HB3 LEU A 16 8.439 -4.837 -4.768 1.00 98.12 H +ATOM 260 O LEU A 16 6.649 -7.216 -5.306 1.00 98.12 O +ATOM 261 CG LEU A 16 8.013 -3.171 -3.486 1.00 98.12 C +ATOM 262 HG LEU A 16 8.550 -3.593 -2.636 1.00 98.12 H +ATOM 263 CD1 LEU A 16 8.947 -2.228 -4.241 1.00 98.12 C +ATOM 264 HD11 LEU A 16 9.748 -2.795 -4.715 1.00 98.12 H +ATOM 265 HD12 LEU A 16 9.383 -1.512 -3.544 1.00 98.12 H +ATOM 266 HD13 LEU A 16 8.396 -1.684 -5.008 1.00 98.12 H +ATOM 267 CD2 LEU A 16 6.810 -2.368 -2.992 1.00 98.12 C +ATOM 268 HD21 LEU A 16 7.122 -1.388 -2.631 1.00 98.12 H +ATOM 269 HD22 LEU A 16 6.114 -2.194 -3.812 1.00 98.12 H +ATOM 270 HD23 LEU A 16 6.332 -2.905 -2.173 1.00 98.12 H +ATOM 271 N PHE A 17 4.829 -5.904 -5.380 1.00 98.25 N +ATOM 272 H PHE A 17 4.434 -5.045 -5.023 1.00 98.25 H +ATOM 273 CA PHE A 17 4.271 -6.376 -6.638 1.00 98.25 C +ATOM 274 HA PHE A 17 4.590 -7.399 -6.840 1.00 98.25 H +ATOM 275 C PHE A 17 4.770 -5.471 -7.763 1.00 98.25 C +ATOM 276 CB PHE A 17 2.741 -6.324 -6.547 1.00 98.25 C +ATOM 277 HB2 PHE A 17 2.444 -5.365 -6.124 1.00 98.25 H +ATOM 278 HB3 PHE A 17 2.399 -7.099 -5.861 1.00 98.25 H +ATOM 279 O PHE A 17 4.595 -4.256 -7.691 1.00 98.25 O +ATOM 280 CG PHE A 17 2.041 -6.488 -7.882 1.00 98.25 C +ATOM 281 CD1 PHE A 17 1.695 -5.353 -8.641 1.00 98.25 C +ATOM 282 HD1 PHE A 17 1.943 -4.365 -8.281 1.00 98.25 H +ATOM 283 CD2 PHE A 17 1.760 -7.772 -8.383 1.00 98.25 C +ATOM 284 HD2 PHE A 17 2.047 -8.647 -7.818 1.00 98.25 H +ATOM 285 CE1 PHE A 17 1.062 -5.499 -9.886 1.00 98.25 C +ATOM 286 HE1 PHE A 17 0.820 -4.623 -10.469 1.00 98.25 H +ATOM 287 CE2 PHE A 17 1.108 -7.917 -9.620 1.00 98.25 C +ATOM 288 HE2 PHE A 17 0.868 -8.901 -9.994 1.00 98.25 H +ATOM 289 CZ PHE A 17 0.766 -6.783 -10.376 1.00 98.25 C +ATOM 290 HZ PHE A 17 0.281 -6.897 -11.334 1.00 98.25 H +ATOM 291 N ILE A 18 5.336 -6.053 -8.816 1.00 98.38 N +ATOM 292 H ILE A 18 5.443 -7.058 -8.815 1.00 98.38 H +ATOM 293 CA ILE A 18 5.804 -5.317 -9.990 1.00 98.38 C +ATOM 294 HA ILE A 18 5.684 -4.247 -9.820 1.00 98.38 H +ATOM 295 C ILE A 18 4.929 -5.693 -11.185 1.00 98.38 C +ATOM 296 CB ILE A 18 7.304 -5.571 -10.246 1.00 98.38 C +ATOM 297 HB ILE A 18 7.431 -6.590 -10.613 1.00 98.38 H +ATOM 298 O ILE A 18 5.086 -6.769 -11.767 1.00 98.38 O +ATOM 299 CG1 ILE A 18 8.197 -5.435 -8.989 1.00 98.38 C +ATOM 300 HG12 ILE A 18 9.238 -5.562 -9.290 1.00 98.38 H +ATOM 301 HG13 ILE A 18 7.970 -6.247 -8.297 1.00 98.38 H +ATOM 302 CG2 ILE A 18 7.774 -4.608 -11.349 1.00 98.38 C +ATOM 303 HG21 ILE A 18 7.611 -3.571 -11.055 1.00 98.38 H +ATOM 304 HG22 ILE A 18 7.227 -4.793 -12.274 1.00 98.38 H +ATOM 305 HG23 ILE A 18 8.838 -4.756 -11.537 1.00 98.38 H +ATOM 306 CD1 ILE A 18 8.084 -4.107 -8.228 1.00 98.38 C +ATOM 307 HD11 ILE A 18 7.120 -4.030 -7.725 1.00 98.38 H +ATOM 308 HD12 ILE A 18 8.869 -4.055 -7.472 1.00 98.38 H +ATOM 309 HD13 ILE A 18 8.201 -3.261 -8.905 1.00 98.38 H +ATOM 310 N GLY A 19 3.981 -4.823 -11.532 1.00 97.62 N +ATOM 311 H GLY A 19 3.905 -3.961 -11.012 1.00 97.62 H +ATOM 312 CA GLY A 19 3.089 -5.007 -12.676 1.00 97.62 C +ATOM 313 HA2 GLY A 19 2.138 -4.517 -12.467 1.00 97.62 H +ATOM 314 HA3 GLY A 19 2.898 -6.069 -12.827 1.00 97.62 H +ATOM 315 C GLY A 19 3.643 -4.412 -13.970 1.00 97.62 C +ATOM 316 O GLY A 19 4.456 -3.493 -13.946 1.00 97.62 O +ATOM 317 N GLY A 20 3.167 -4.905 -15.114 1.00 97.38 N +ATOM 318 H GLY A 20 2.575 -5.723 -15.088 1.00 97.38 H +ATOM 319 CA GLY A 20 3.486 -4.316 -16.419 1.00 97.38 C +ATOM 320 HA2 GLY A 20 2.745 -4.652 -17.144 1.00 97.38 H +ATOM 321 HA3 GLY A 20 3.434 -3.229 -16.349 1.00 97.38 H +ATOM 322 C GLY A 20 4.867 -4.687 -16.960 1.00 97.38 C +ATOM 323 O GLY A 20 5.401 -3.959 -17.793 1.00 97.38 O +ATOM 324 N LEU A 21 5.437 -5.812 -16.520 1.00 98.19 N +ATOM 325 H LEU A 21 4.900 -6.403 -15.901 1.00 98.19 H +ATOM 326 CA LEU A 21 6.701 -6.326 -17.049 1.00 98.19 C +ATOM 327 HA LEU A 21 7.439 -5.525 -17.007 1.00 98.19 H +ATOM 328 C LEU A 21 6.578 -6.706 -18.530 1.00 98.19 C +ATOM 329 CB LEU A 21 7.202 -7.521 -16.210 1.00 98.19 C +ATOM 330 HB2 LEU A 21 8.112 -7.908 -16.669 1.00 98.19 H +ATOM 331 HB3 LEU A 21 6.453 -8.312 -16.251 1.00 98.19 H +ATOM 332 O LEU A 21 5.494 -7.035 -19.031 1.00 98.19 O +ATOM 333 CG LEU A 21 7.511 -7.201 -14.737 1.00 98.19 C +ATOM 334 HG LEU A 21 6.621 -6.787 -14.264 1.00 98.19 H +ATOM 335 CD1 LEU A 21 7.915 -8.471 -13.992 1.00 98.19 C +ATOM 336 HD11 LEU A 21 8.011 -8.253 -12.928 1.00 98.19 H +ATOM 337 HD12 LEU A 21 8.871 -8.833 -14.370 1.00 98.19 H +ATOM 338 HD13 LEU A 21 7.166 -9.248 -14.146 1.00 98.19 H +ATOM 339 CD2 LEU A 21 8.659 -6.209 -14.597 1.00 98.19 C +ATOM 340 HD21 LEU A 21 8.773 -5.915 -13.554 1.00 98.19 H +ATOM 341 HD22 LEU A 21 9.601 -6.638 -14.940 1.00 98.19 H +ATOM 342 HD23 LEU A 21 8.457 -5.323 -15.199 1.00 98.19 H +ATOM 343 N SER A 22 7.707 -6.684 -19.241 1.00 97.69 N +ATOM 344 H SER A 22 8.578 -6.501 -18.763 1.00 97.69 H +ATOM 345 CA SER A 22 7.784 -7.308 -20.561 1.00 97.69 C +ATOM 346 HA SER A 22 6.990 -6.904 -21.188 1.00 97.69 H +ATOM 347 C SER A 22 7.571 -8.820 -20.427 1.00 97.69 C +ATOM 348 CB SER A 22 9.121 -7.001 -21.247 1.00 97.69 C +ATOM 349 HB2 SER A 22 9.944 -7.447 -20.689 1.00 97.69 H +ATOM 350 HB3 SER A 22 9.269 -5.923 -21.308 1.00 97.69 H +ATOM 351 O SER A 22 7.911 -9.429 -19.411 1.00 97.69 O +ATOM 352 OG SER A 22 9.087 -7.554 -22.549 1.00 97.69 O +ATOM 353 HG SER A 22 9.932 -7.385 -22.972 1.00 97.69 H +ATOM 354 N PHE A 23 7.020 -9.459 -21.462 1.00 97.06 N +ATOM 355 H PHE A 23 6.851 -8.944 -22.313 1.00 97.06 H +ATOM 356 CA PHE A 23 6.945 -10.924 -21.489 1.00 97.06 C +ATOM 357 HA PHE A 23 6.524 -11.257 -20.541 1.00 97.06 H +ATOM 358 C PHE A 23 8.327 -11.580 -21.598 1.00 97.06 C +ATOM 359 CB PHE A 23 6.033 -11.393 -22.628 1.00 97.06 C +ATOM 360 HB2 PHE A 23 6.107 -12.477 -22.708 1.00 97.06 H +ATOM 361 HB3 PHE A 23 6.394 -10.972 -23.566 1.00 97.06 H +ATOM 362 O PHE A 23 8.463 -12.760 -21.279 1.00 97.06 O +ATOM 363 CG PHE A 23 4.570 -11.051 -22.433 1.00 97.06 C +ATOM 364 CD1 PHE A 23 3.895 -11.485 -21.276 1.00 97.06 C +ATOM 365 HD1 PHE A 23 4.421 -12.049 -20.520 1.00 97.06 H +ATOM 366 CD2 PHE A 23 3.872 -10.322 -23.414 1.00 97.06 C +ATOM 367 HD2 PHE A 23 4.382 -9.992 -24.307 1.00 97.06 H +ATOM 368 CE1 PHE A 23 2.533 -11.192 -21.096 1.00 97.06 C +ATOM 369 HE1 PHE A 23 2.024 -11.530 -20.206 1.00 97.06 H +ATOM 370 CE2 PHE A 23 2.508 -10.030 -23.236 1.00 97.06 C +ATOM 371 HE2 PHE A 23 1.975 -9.474 -23.993 1.00 97.06 H +ATOM 372 CZ PHE A 23 1.839 -10.464 -22.077 1.00 97.06 C +ATOM 373 HZ PHE A 23 0.791 -10.239 -21.941 1.00 97.06 H +ATOM 374 N GLU A 24 9.325 -10.806 -22.016 1.00 96.12 N +ATOM 375 H GLU A 24 9.114 -9.859 -22.297 1.00 96.12 H +ATOM 376 CA GLU A 24 10.728 -11.206 -22.124 1.00 96.12 C +ATOM 377 HA GLU A 24 10.796 -12.272 -22.337 1.00 96.12 H +ATOM 378 C GLU A 24 11.512 -10.959 -20.830 1.00 96.12 C +ATOM 379 CB GLU A 24 11.363 -10.443 -23.294 1.00 96.12 C +ATOM 380 HB2 GLU A 24 11.283 -9.374 -23.096 1.00 96.12 H +ATOM 381 HB3 GLU A 24 12.418 -10.709 -23.365 1.00 96.12 H +ATOM 382 O GLU A 24 12.627 -11.453 -20.700 1.00 96.12 O +ATOM 383 CG GLU A 24 10.675 -10.780 -24.628 1.00 96.12 C +ATOM 384 HG2 GLU A 24 9.609 -10.567 -24.554 1.00 96.12 H +ATOM 385 HG3 GLU A 24 10.789 -11.847 -24.816 1.00 96.12 H +ATOM 386 CD GLU A 24 11.226 -9.988 -25.819 1.00 96.12 C +ATOM 387 OE1 GLU A 24 10.802 -10.322 -26.947 1.00 96.12 O +ATOM 388 OE2 GLU A 24 11.994 -9.027 -25.595 1.00 96.12 O +ATOM 389 N THR A 25 10.934 -10.243 -19.857 1.00 97.94 N +ATOM 390 H THR A 25 9.998 -9.886 -19.986 1.00 97.94 H +ATOM 391 CA THR A 25 11.604 -9.971 -18.583 1.00 97.94 C +ATOM 392 HA THR A 25 12.568 -9.514 -18.810 1.00 97.94 H +ATOM 393 C THR A 25 11.895 -11.268 -17.835 1.00 97.94 C +ATOM 394 CB THR A 25 10.799 -8.996 -17.712 1.00 97.94 C +ATOM 395 HB THR A 25 9.793 -9.388 -17.566 1.00 97.94 H +ATOM 396 O THR A 25 11.005 -12.107 -17.622 1.00 97.94 O +ATOM 397 CG2 THR A 25 11.430 -8.749 -16.346 1.00 97.94 C +ATOM 398 HG21 THR A 25 10.876 -7.971 -15.819 1.00 97.94 H +ATOM 399 HG22 THR A 25 11.412 -9.656 -15.742 1.00 97.94 H +ATOM 400 HG23 THR A 25 12.461 -8.413 -16.453 1.00 97.94 H +ATOM 401 OG1 THR A 25 10.725 -7.738 -18.345 1.00 97.94 O +ATOM 402 HG1 THR A 25 11.644 -7.485 -18.461 1.00 97.94 H +ATOM 403 N THR A 26 13.152 -11.426 -17.424 1.00 97.88 N +ATOM 404 H THR A 26 13.813 -10.675 -17.564 1.00 97.88 H +ATOM 405 CA THR A 26 13.630 -12.583 -16.670 1.00 97.88 C +ATOM 406 HA THR A 26 12.881 -13.370 -16.763 1.00 97.88 H +ATOM 407 C THR A 26 13.746 -12.266 -15.182 1.00 97.88 C +ATOM 408 CB THR A 26 14.912 -13.195 -17.249 1.00 97.88 C +ATOM 409 HB THR A 26 15.002 -14.195 -16.826 1.00 97.88 H +ATOM 410 O THR A 26 13.608 -11.115 -14.763 1.00 97.88 O +ATOM 411 CG2 THR A 26 14.884 -13.356 -18.768 1.00 97.88 C +ATOM 412 HG21 THR A 26 14.908 -12.378 -19.249 1.00 97.88 H +ATOM 413 HG22 THR A 26 13.982 -13.885 -19.075 1.00 97.88 H +ATOM 414 HG23 THR A 26 15.760 -13.922 -19.085 1.00 97.88 H +ATOM 415 OG1 THR A 26 16.051 -12.466 -16.879 1.00 97.88 O +ATOM 416 HG1 THR A 26 16.602 -13.117 -16.438 1.00 97.88 H +ATOM 417 N ASP A 27 13.955 -13.296 -14.360 1.00 98.06 N +ATOM 418 H ASP A 27 14.227 -14.192 -14.739 1.00 98.06 H +ATOM 419 CA ASP A 27 14.139 -13.094 -12.916 1.00 98.06 C +ATOM 420 HA ASP A 27 13.312 -12.502 -12.522 1.00 98.06 H +ATOM 421 C ASP A 27 15.428 -12.295 -12.664 1.00 98.06 C +ATOM 422 CB ASP A 27 14.151 -14.452 -12.184 1.00 98.06 C +ATOM 423 HB2 ASP A 27 14.333 -14.272 -11.125 1.00 98.06 H +ATOM 424 HB3 ASP A 27 14.970 -15.057 -12.572 1.00 98.06 H +ATOM 425 O ASP A 27 15.484 -11.450 -11.772 1.00 98.06 O +ATOM 426 CG ASP A 27 12.839 -15.241 -12.320 1.00 98.06 C +ATOM 427 OD1 ASP A 27 11.848 -14.703 -12.867 1.00 98.06 O +ATOM 428 OD2 ASP A 27 12.771 -16.426 -11.942 1.00 98.06 O +ATOM 429 N GLU A 28 16.435 -12.501 -13.514 1.00 98.12 N +ATOM 430 H GLU A 28 16.315 -13.217 -14.216 1.00 98.12 H +ATOM 431 CA GLU A 28 17.724 -11.818 -13.491 1.00 98.12 C +ATOM 432 HA GLU A 28 18.111 -11.840 -12.472 1.00 98.12 H +ATOM 433 C GLU A 28 17.608 -10.348 -13.903 1.00 98.12 C +ATOM 434 CB GLU A 28 18.743 -12.527 -14.404 1.00 98.12 C +ATOM 435 HB2 GLU A 28 18.460 -12.402 -15.448 1.00 98.12 H +ATOM 436 HB3 GLU A 28 19.700 -12.022 -14.272 1.00 98.12 H +ATOM 437 O GLU A 28 18.151 -9.495 -13.203 1.00 98.12 O +ATOM 438 CG GLU A 28 18.965 -14.022 -14.105 1.00 98.12 C +ATOM 439 HG2 GLU A 28 19.871 -14.337 -14.623 1.00 98.12 H +ATOM 440 HG3 GLU A 28 19.139 -14.139 -13.036 1.00 98.12 H +ATOM 441 CD GLU A 28 17.812 -14.937 -14.554 1.00 98.12 C +ATOM 442 OE1 GLU A 28 17.726 -16.065 -14.028 1.00 98.12 O +ATOM 443 OE2 GLU A 28 16.988 -14.497 -15.396 1.00 98.12 O +ATOM 444 N SER A 29 16.892 -10.021 -14.990 1.00 98.00 N +ATOM 445 H SER A 29 16.443 -10.743 -15.534 1.00 98.00 H +ATOM 446 CA SER A 29 16.732 -8.618 -15.409 1.00 98.00 C +ATOM 447 HA SER A 29 17.720 -8.156 -15.410 1.00 98.00 H +ATOM 448 C SER A 29 15.879 -7.823 -14.417 1.00 98.00 C +ATOM 449 CB SER A 29 16.189 -8.495 -16.840 1.00 98.00 C +ATOM 450 HB2 SER A 29 16.822 -9.067 -17.518 1.00 98.00 H +ATOM 451 HB3 SER A 29 16.238 -7.446 -17.131 1.00 98.00 H +ATOM 452 O SER A 29 16.216 -6.682 -14.087 1.00 98.00 O +ATOM 453 OG SER A 29 14.851 -8.934 -16.970 1.00 98.00 O +ATOM 454 HG SER A 29 14.435 -8.345 -17.604 1.00 98.00 H +ATOM 455 N LEU A 30 14.834 -8.444 -13.854 1.00 98.38 N +ATOM 456 H LEU A 30 14.587 -9.361 -14.198 1.00 98.38 H +ATOM 457 CA LEU A 30 14.041 -7.848 -12.779 1.00 98.38 C +ATOM 458 HA LEU A 30 13.689 -6.879 -13.132 1.00 98.38 H +ATOM 459 C LEU A 30 14.896 -7.602 -11.527 1.00 98.38 C +ATOM 460 CB LEU A 30 12.832 -8.754 -12.471 1.00 98.38 C +ATOM 461 HB2 LEU A 30 13.200 -9.726 -12.143 1.00 98.38 H +ATOM 462 HB3 LEU A 30 12.261 -8.907 -13.387 1.00 98.38 H +ATOM 463 O LEU A 30 14.883 -6.497 -10.982 1.00 98.38 O +ATOM 464 CG LEU A 30 11.897 -8.186 -11.384 1.00 98.38 C +ATOM 465 HG LEU A 30 12.465 -7.969 -10.479 1.00 98.38 H +ATOM 466 CD1 LEU A 30 11.204 -6.909 -11.857 1.00 98.38 C +ATOM 467 HD11 LEU A 30 10.549 -6.540 -11.068 1.00 98.38 H +ATOM 468 HD12 LEU A 30 10.624 -7.122 -12.756 1.00 98.38 H +ATOM 469 HD13 LEU A 30 11.944 -6.143 -12.085 1.00 98.38 H +ATOM 470 CD2 LEU A 30 10.798 -9.190 -11.029 1.00 98.38 C +ATOM 471 HD21 LEU A 30 11.251 -10.136 -10.734 1.00 98.38 H +ATOM 472 HD22 LEU A 30 10.148 -9.355 -11.888 1.00 98.38 H +ATOM 473 HD23 LEU A 30 10.214 -8.811 -10.190 1.00 98.38 H +ATOM 474 N ARG A 31 15.661 -8.611 -11.093 1.00 98.44 N +ATOM 475 H ARG A 31 15.623 -9.485 -11.598 1.00 98.44 H +ATOM 476 CA ARG A 31 16.570 -8.513 -9.943 1.00 98.44 C +ATOM 477 HA ARG A 31 16.000 -8.235 -9.056 1.00 98.44 H +ATOM 478 C ARG A 31 17.599 -7.406 -10.146 1.00 98.44 C +ATOM 479 CB ARG A 31 17.238 -9.879 -9.715 1.00 98.44 C +ATOM 480 HB2 ARG A 31 16.475 -10.606 -9.440 1.00 98.44 H +ATOM 481 HB3 ARG A 31 17.708 -10.213 -10.640 1.00 98.44 H +ATOM 482 O ARG A 31 17.700 -6.520 -9.305 1.00 98.44 O +ATOM 483 CG ARG A 31 18.307 -9.836 -8.621 1.00 98.44 C +ATOM 484 HG2 ARG A 31 19.135 -9.211 -8.957 1.00 98.44 H +ATOM 485 HG3 ARG A 31 17.885 -9.406 -7.712 1.00 98.44 H +ATOM 486 CD ARG A 31 18.869 -11.225 -8.311 1.00 98.44 C +ATOM 487 HD2 ARG A 31 19.187 -11.694 -9.242 1.00 98.44 H +ATOM 488 HD3 ARG A 31 19.755 -11.109 -7.686 1.00 98.44 H +ATOM 489 NE ARG A 31 17.878 -12.084 -7.632 1.00 98.44 N +ATOM 490 HE ARG A 31 17.371 -12.738 -8.211 1.00 98.44 H +ATOM 491 NH1 ARG A 31 18.221 -11.257 -5.510 1.00 98.44 N +ATOM 492 HH11 ARG A 31 18.034 -11.232 -4.518 1.00 98.44 H +ATOM 493 HH12 ARG A 31 18.878 -10.578 -5.867 1.00 98.44 H +ATOM 494 NH2 ARG A 31 16.734 -12.903 -5.849 1.00 98.44 N +ATOM 495 HH21 ARG A 31 16.566 -12.898 -4.853 1.00 98.44 H +ATOM 496 HH22 ARG A 31 16.240 -13.544 -6.453 1.00 98.44 H +ATOM 497 CZ ARG A 31 17.620 -12.075 -6.335 1.00 98.44 C +ATOM 498 N SER A 32 18.292 -7.419 -11.282 1.00 98.19 N +ATOM 499 H SER A 32 18.132 -8.179 -11.928 1.00 98.19 H +ATOM 500 CA SER A 32 19.333 -6.443 -11.606 1.00 98.19 C +ATOM 501 HA SER A 32 20.127 -6.525 -10.863 1.00 98.19 H +ATOM 502 C SER A 32 18.812 -5.007 -11.580 1.00 98.19 C +ATOM 503 CB SER A 32 19.915 -6.756 -12.986 1.00 98.19 C +ATOM 504 HB2 SER A 32 20.336 -7.761 -12.979 1.00 98.19 H +ATOM 505 HB3 SER A 32 19.125 -6.712 -13.736 1.00 98.19 H +ATOM 506 O SER A 32 19.549 -4.108 -11.182 1.00 98.19 O +ATOM 507 OG SER A 32 20.931 -5.830 -13.320 1.00 98.19 O +ATOM 508 HG SER A 32 21.082 -5.252 -12.568 1.00 98.19 H +ATOM 509 N HIS A 33 17.556 -4.776 -11.974 1.00 98.31 N +ATOM 510 H HIS A 33 17.008 -5.539 -12.346 1.00 98.31 H +ATOM 511 CA HIS A 33 16.957 -3.450 -11.885 1.00 98.31 C +ATOM 512 HA HIS A 33 17.675 -2.727 -12.271 1.00 98.31 H +ATOM 513 C HIS A 33 16.643 -3.056 -10.438 1.00 98.31 C +ATOM 514 CB HIS A 33 15.701 -3.384 -12.757 1.00 98.31 C +ATOM 515 HB2 HIS A 33 14.925 -4.026 -12.340 1.00 98.31 H +ATOM 516 HB3 HIS A 33 15.941 -3.753 -13.754 1.00 98.31 H +ATOM 517 O HIS A 33 17.032 -1.974 -10.007 1.00 98.31 O +ATOM 518 CG HIS A 33 15.174 -1.977 -12.887 1.00 98.31 C +ATOM 519 CD2 HIS A 33 14.069 -1.437 -12.280 1.00 98.31 C +ATOM 520 HD2 HIS A 33 13.414 -1.939 -11.583 1.00 98.31 H +ATOM 521 ND1 HIS A 33 15.715 -0.998 -13.685 1.00 98.31 N +ATOM 522 HD1 HIS A 33 16.540 -1.092 -14.261 1.00 98.31 H +ATOM 523 CE1 HIS A 33 14.948 0.096 -13.582 1.00 98.31 C +ATOM 524 HE1 HIS A 33 15.117 1.022 -14.112 1.00 98.31 H +ATOM 525 NE2 HIS A 33 13.912 -0.132 -12.763 1.00 98.31 N +ATOM 526 N PHE A 34 15.947 -3.909 -9.683 1.00 98.25 N +ATOM 527 H PHE A 34 15.703 -4.812 -10.064 1.00 98.25 H +ATOM 528 CA PHE A 34 15.456 -3.554 -8.347 1.00 98.25 C +ATOM 529 HA PHE A 34 15.142 -2.510 -8.376 1.00 98.25 H +ATOM 530 C PHE A 34 16.533 -3.604 -7.250 1.00 98.25 C +ATOM 531 CB PHE A 34 14.199 -4.374 -8.020 1.00 98.25 C +ATOM 532 HB2 PHE A 34 14.333 -5.400 -8.363 1.00 98.25 H +ATOM 533 HB3 PHE A 34 14.061 -4.408 -6.939 1.00 98.25 H +ATOM 534 O PHE A 34 16.366 -2.957 -6.217 1.00 98.25 O +ATOM 535 CG PHE A 34 12.939 -3.793 -8.636 1.00 98.25 C +ATOM 536 CD1 PHE A 34 12.248 -2.749 -7.992 1.00 98.25 C +ATOM 537 HD1 PHE A 34 12.599 -2.366 -7.046 1.00 98.25 H +ATOM 538 CD2 PHE A 34 12.483 -4.254 -9.882 1.00 98.25 C +ATOM 539 HD2 PHE A 34 13.020 -5.042 -10.388 1.00 98.25 H +ATOM 540 CE1 PHE A 34 11.120 -2.164 -8.592 1.00 98.25 C +ATOM 541 HE1 PHE A 34 10.622 -1.338 -8.106 1.00 98.25 H +ATOM 542 CE2 PHE A 34 11.358 -3.668 -10.487 1.00 98.25 C +ATOM 543 HE2 PHE A 34 11.037 -4.000 -11.464 1.00 98.25 H +ATOM 544 CZ PHE A 34 10.681 -2.618 -9.847 1.00 98.25 C +ATOM 545 HZ PHE A 34 9.842 -2.140 -10.331 1.00 98.25 H +ATOM 546 N GLU A 35 17.671 -4.261 -7.474 1.00 97.69 N +ATOM 547 H GLU A 35 17.755 -4.840 -8.298 1.00 97.69 H +ATOM 548 CA GLU A 35 18.812 -4.226 -6.541 1.00 97.69 C +ATOM 549 HA GLU A 35 18.439 -4.464 -5.544 1.00 97.69 H +ATOM 550 C GLU A 35 19.460 -2.832 -6.407 1.00 97.69 C +ATOM 551 CB GLU A 35 19.845 -5.308 -6.919 1.00 97.69 C +ATOM 552 HB2 GLU A 35 20.798 -5.084 -6.440 1.00 97.69 H +ATOM 553 HB3 GLU A 35 19.988 -5.313 -7.999 1.00 97.69 H +ATOM 554 O GLU A 35 20.197 -2.585 -5.457 1.00 97.69 O +ATOM 555 CG GLU A 35 19.375 -6.690 -6.428 1.00 97.69 C +ATOM 556 HG2 GLU A 35 18.380 -6.884 -6.830 1.00 97.69 H +ATOM 557 HG3 GLU A 35 19.281 -6.655 -5.343 1.00 97.69 H +ATOM 558 CD GLU A 35 20.281 -7.875 -6.801 1.00 97.69 C +ATOM 559 OE1 GLU A 35 20.006 -8.982 -6.260 1.00 97.69 O +ATOM 560 OE2 GLU A 35 21.170 -7.723 -7.667 1.00 97.69 O +ATOM 561 N GLN A 36 19.137 -1.876 -7.288 1.00 97.75 N +ATOM 562 H GLN A 36 18.521 -2.118 -8.051 1.00 97.75 H +ATOM 563 CA GLN A 36 19.628 -0.491 -7.200 1.00 97.75 C +ATOM 564 HA GLN A 36 20.718 -0.505 -7.183 1.00 97.75 H +ATOM 565 C GLN A 36 19.175 0.252 -5.929 1.00 97.75 C +ATOM 566 CB GLN A 36 19.160 0.293 -8.434 1.00 97.75 C +ATOM 567 HB2 GLN A 36 19.385 1.350 -8.291 1.00 97.75 H +ATOM 568 HB3 GLN A 36 18.079 0.191 -8.534 1.00 97.75 H +ATOM 569 O GLN A 36 19.825 1.217 -5.530 1.00 97.75 O +ATOM 570 CG GLN A 36 19.840 -0.165 -9.731 1.00 97.75 C +ATOM 571 HG2 GLN A 36 20.909 0.038 -9.672 1.00 97.75 H +ATOM 572 HG3 GLN A 36 19.699 -1.236 -9.872 1.00 97.75 H +ATOM 573 CD GLN A 36 19.260 0.574 -10.930 1.00 97.75 C +ATOM 574 NE2 GLN A 36 18.235 0.047 -11.556 1.00 97.75 N +ATOM 575 HE21 GLN A 36 17.765 -0.716 -11.090 1.00 97.75 H +ATOM 576 HE22 GLN A 36 17.763 0.659 -12.205 1.00 97.75 H +ATOM 577 OE1 GLN A 36 19.680 1.654 -11.308 1.00 97.75 O +ATOM 578 N TRP A 37 18.077 -0.179 -5.298 1.00 97.75 N +ATOM 579 H TRP A 37 17.603 -0.985 -5.678 1.00 97.75 H +ATOM 580 CA TRP A 37 17.503 0.470 -4.106 1.00 97.75 C +ATOM 581 HA TRP A 37 18.040 1.399 -3.915 1.00 97.75 H +ATOM 582 C TRP A 37 17.647 -0.348 -2.823 1.00 97.75 C +ATOM 583 CB TRP A 37 16.041 0.845 -4.371 1.00 97.75 C +ATOM 584 HB2 TRP A 37 15.473 -0.061 -4.584 1.00 97.75 H +ATOM 585 HB3 TRP A 37 15.616 1.300 -3.476 1.00 97.75 H +ATOM 586 O TRP A 37 17.175 0.088 -1.776 1.00 97.75 O +ATOM 587 CG TRP A 37 15.879 1.804 -5.502 1.00 97.75 C +ATOM 588 CD1 TRP A 37 16.059 3.140 -5.427 1.00 97.75 C +ATOM 589 HD1 TRP A 37 16.307 3.676 -4.523 1.00 97.75 H +ATOM 590 CD2 TRP A 37 15.604 1.510 -6.901 1.00 97.75 C +ATOM 591 CE2 TRP A 37 15.675 2.729 -7.637 1.00 97.75 C +ATOM 592 CE3 TRP A 37 15.319 0.332 -7.622 1.00 97.75 C +ATOM 593 HE3 TRP A 37 15.247 -0.603 -7.087 1.00 97.75 H +ATOM 594 NE1 TRP A 37 15.948 3.687 -6.688 1.00 97.75 N +ATOM 595 HE1 TRP A 37 16.077 4.671 -6.877 1.00 97.75 H +ATOM 596 CH2 TRP A 37 15.238 1.585 -9.718 1.00 97.75 C +ATOM 597 HH2 TRP A 37 15.074 1.600 -10.785 1.00 97.75 H +ATOM 598 CZ2 TRP A 37 15.492 2.780 -9.025 1.00 97.75 C +ATOM 599 HZ2 TRP A 37 15.548 3.720 -9.553 1.00 97.75 H +ATOM 600 CZ3 TRP A 37 15.133 0.372 -9.016 1.00 97.75 C +ATOM 601 HZ3 TRP A 37 14.897 -0.531 -9.561 1.00 97.75 H +ATOM 602 N GLY A 38 18.281 -1.521 -2.885 1.00 96.69 N +ATOM 603 H GLY A 38 18.700 -1.822 -3.754 1.00 96.69 H +ATOM 604 CA GLY A 38 18.446 -2.369 -1.713 1.00 96.69 C +ATOM 605 HA2 GLY A 38 17.527 -2.345 -1.127 1.00 96.69 H +ATOM 606 HA3 GLY A 38 19.248 -1.974 -1.089 1.00 96.69 H +ATOM 607 C GLY A 38 18.745 -3.827 -2.028 1.00 96.69 C +ATOM 608 O GLY A 38 18.775 -4.257 -3.180 1.00 96.69 O +ATOM 609 N THR A 39 18.934 -4.613 -0.976 1.00 97.62 N +ATOM 610 H THR A 39 18.808 -4.209 -0.059 1.00 97.62 H +ATOM 611 CA THR A 39 19.262 -6.036 -1.085 1.00 97.62 C +ATOM 612 HA THR A 39 19.900 -6.180 -1.958 1.00 97.62 H +ATOM 613 C THR A 39 18.000 -6.877 -1.261 1.00 97.62 C +ATOM 614 CB THR A 39 20.052 -6.497 0.143 1.00 97.62 C +ATOM 615 HB THR A 39 19.436 -6.391 1.037 1.00 97.62 H +ATOM 616 O THR A 39 17.170 -6.972 -0.359 1.00 97.62 O +ATOM 617 CG2 THR A 39 20.519 -7.948 0.017 1.00 97.62 C +ATOM 618 HG21 THR A 39 19.660 -8.619 -0.001 1.00 97.62 H +ATOM 619 HG22 THR A 39 21.144 -8.198 0.874 1.00 97.62 H +ATOM 620 HG23 THR A 39 21.099 -8.070 -0.898 1.00 97.62 H +ATOM 621 OG1 THR A 39 21.209 -5.709 0.294 1.00 97.62 O +ATOM 622 HG1 THR A 39 20.903 -4.816 0.470 1.00 97.62 H +ATOM 623 N LEU A 40 17.866 -7.565 -2.397 1.00 97.88 N +ATOM 624 H LEU A 40 18.551 -7.432 -3.127 1.00 97.88 H +ATOM 625 CA LEU A 40 16.726 -8.450 -2.651 1.00 97.88 C +ATOM 626 HA LEU A 40 15.843 -8.017 -2.181 1.00 97.88 H +ATOM 627 C LEU A 40 16.918 -9.841 -2.034 1.00 97.88 C +ATOM 628 CB LEU A 40 16.449 -8.544 -4.159 1.00 97.88 C +ATOM 629 HB2 LEU A 40 15.679 -9.299 -4.317 1.00 97.88 H +ATOM 630 HB3 LEU A 40 17.360 -8.872 -4.659 1.00 97.88 H +ATOM 631 O LEU A 40 17.724 -10.649 -2.501 1.00 97.88 O +ATOM 632 CG LEU A 40 15.989 -7.236 -4.821 1.00 97.88 C +ATOM 633 HG LEU A 40 16.797 -6.504 -4.796 1.00 97.88 H +ATOM 634 CD1 LEU A 40 15.625 -7.528 -6.274 1.00 97.88 C +ATOM 635 HD11 LEU A 40 16.449 -8.050 -6.760 1.00 97.88 H +ATOM 636 HD12 LEU A 40 15.469 -6.583 -6.795 1.00 97.88 H +ATOM 637 HD13 LEU A 40 14.720 -8.133 -6.330 1.00 97.88 H +ATOM 638 CD2 LEU A 40 14.756 -6.645 -4.144 1.00 97.88 C +ATOM 639 HD21 LEU A 40 15.037 -6.243 -3.171 1.00 97.88 H +ATOM 640 HD22 LEU A 40 14.359 -5.826 -4.743 1.00 97.88 H +ATOM 641 HD23 LEU A 40 13.995 -7.413 -4.005 1.00 97.88 H +ATOM 642 N THR A 41 16.094 -10.152 -1.035 1.00 97.25 N +ATOM 643 H THR A 41 15.438 -9.434 -0.761 1.00 97.25 H +ATOM 644 CA THR A 41 15.979 -11.486 -0.421 1.00 97.25 C +ATOM 645 HA THR A 41 16.983 -11.889 -0.286 1.00 97.25 H +ATOM 646 C THR A 41 15.226 -12.489 -1.295 1.00 97.25 C +ATOM 647 CB THR A 41 15.309 -11.421 0.962 1.00 97.25 C +ATOM 648 HB THR A 41 15.251 -12.432 1.365 1.00 97.25 H +ATOM 649 O THR A 41 15.527 -13.678 -1.247 1.00 97.25 O +ATOM 650 CG2 THR A 41 16.108 -10.569 1.947 1.00 97.25 C +ATOM 651 HG21 THR A 41 15.603 -10.555 2.912 1.00 97.25 H +ATOM 652 HG22 THR A 41 16.199 -9.547 1.579 1.00 97.25 H +ATOM 653 HG23 THR A 41 17.107 -10.989 2.067 1.00 97.25 H +ATOM 654 OG1 THR A 41 14.003 -10.886 0.921 1.00 97.25 O +ATOM 655 HG1 THR A 41 14.023 -10.085 0.392 1.00 97.25 H +ATOM 656 N ASP A 42 14.287 -12.020 -2.119 1.00 97.62 N +ATOM 657 H ASP A 42 14.101 -11.027 -2.113 1.00 97.62 H +ATOM 658 CA ASP A 42 13.548 -12.825 -3.096 1.00 97.62 C +ATOM 659 HA ASP A 42 14.177 -13.656 -3.415 1.00 97.62 H +ATOM 660 C ASP A 42 13.225 -11.970 -4.332 1.00 97.62 C +ATOM 661 CB ASP A 42 12.280 -13.418 -2.452 1.00 97.62 C +ATOM 662 HB2 ASP A 42 12.557 -13.959 -1.547 1.00 97.62 H +ATOM 663 HB3 ASP A 42 11.608 -12.607 -2.171 1.00 97.62 H +ATOM 664 O ASP A 42 13.016 -10.760 -4.224 1.00 97.62 O +ATOM 665 CG ASP A 42 11.522 -14.378 -3.374 1.00 97.62 C +ATOM 666 OD1 ASP A 42 12.200 -15.040 -4.192 1.00 97.62 O +ATOM 667 OD2 ASP A 42 10.269 -14.408 -3.275 1.00 97.62 O +ATOM 668 N CYS A 43 13.221 -12.585 -5.511 1.00 98.19 N +ATOM 669 H CYS A 43 13.243 -13.595 -5.501 1.00 98.19 H +ATOM 670 CA CYS A 43 12.881 -11.935 -6.776 1.00 98.19 C +ATOM 671 HA CYS A 43 12.084 -11.210 -6.607 1.00 98.19 H +ATOM 672 C CYS A 43 12.390 -12.997 -7.757 1.00 98.19 C +ATOM 673 CB CYS A 43 14.099 -11.200 -7.354 1.00 98.19 C +ATOM 674 HB2 CYS A 43 14.877 -11.926 -7.591 1.00 98.19 H +ATOM 675 HB3 CYS A 43 14.475 -10.476 -6.632 1.00 98.19 H +ATOM 676 O CYS A 43 13.124 -13.941 -8.051 1.00 98.19 O +ATOM 677 SG CYS A 43 13.600 -10.353 -8.880 1.00 98.19 S +ATOM 678 HG CYS A 43 14.813 -10.084 -9.371 1.00 98.19 H +ATOM 679 N VAL A 44 11.164 -12.842 -8.257 1.00 98.19 N +ATOM 680 H VAL A 44 10.631 -12.032 -7.975 1.00 98.19 H +ATOM 681 CA VAL A 44 10.535 -13.827 -9.143 1.00 98.19 C +ATOM 682 HA VAL A 44 11.323 -14.329 -9.704 1.00 98.19 H +ATOM 683 C VAL A 44 9.610 -13.162 -10.157 1.00 98.19 C +ATOM 684 CB VAL A 44 9.814 -14.910 -8.307 1.00 98.19 C +ATOM 685 HB VAL A 44 10.551 -15.348 -7.634 1.00 98.19 H +ATOM 686 O VAL A 44 8.706 -12.402 -9.798 1.00 98.19 O +ATOM 687 CG1 VAL A 44 8.657 -14.387 -7.439 1.00 98.19 C +ATOM 688 HG11 VAL A 44 9.011 -13.569 -6.812 1.00 98.19 H +ATOM 689 HG12 VAL A 44 8.310 -15.188 -6.786 1.00 98.19 H +ATOM 690 HG13 VAL A 44 7.829 -14.043 -8.060 1.00 98.19 H +ATOM 691 CG2 VAL A 44 9.288 -16.044 -9.194 1.00 98.19 C +ATOM 692 HG21 VAL A 44 10.101 -16.424 -9.813 1.00 98.19 H +ATOM 693 HG22 VAL A 44 8.920 -16.855 -8.566 1.00 98.19 H +ATOM 694 HG23 VAL A 44 8.483 -15.688 -9.837 1.00 98.19 H +ATOM 695 N VAL A 45 9.777 -13.491 -11.438 1.00 98.38 N +ATOM 696 H VAL A 45 10.571 -14.058 -11.700 1.00 98.38 H +ATOM 697 CA VAL A 45 8.790 -13.208 -12.484 1.00 98.38 C +ATOM 698 HA VAL A 45 8.250 -12.299 -12.221 1.00 98.38 H +ATOM 699 C VAL A 45 7.801 -14.363 -12.535 1.00 98.38 C +ATOM 700 CB VAL A 45 9.435 -12.964 -13.858 1.00 98.38 C +ATOM 701 HB VAL A 45 9.980 -13.855 -14.169 1.00 98.38 H +ATOM 702 O VAL A 45 8.151 -15.532 -12.726 1.00 98.38 O +ATOM 703 CG1 VAL A 45 8.385 -12.681 -14.940 1.00 98.38 C +ATOM 704 HG11 VAL A 45 7.747 -13.552 -15.091 1.00 98.38 H +ATOM 705 HG12 VAL A 45 7.775 -11.825 -14.654 1.00 98.38 H +ATOM 706 HG13 VAL A 45 8.887 -12.460 -15.881 1.00 98.38 H +ATOM 707 CG2 VAL A 45 10.401 -11.780 -13.820 1.00 98.38 C +ATOM 708 HG21 VAL A 45 10.875 -11.667 -14.794 1.00 98.38 H +ATOM 709 HG22 VAL A 45 11.186 -11.952 -13.083 1.00 98.38 H +ATOM 710 HG23 VAL A 45 9.866 -10.864 -13.569 1.00 98.38 H +ATOM 711 N MET A 46 6.519 -14.042 -12.387 1.00 97.88 N +ATOM 712 H MET A 46 6.261 -13.066 -12.346 1.00 97.88 H +ATOM 713 CA MET A 46 5.475 -15.055 -12.362 1.00 97.88 C +ATOM 714 HA MET A 46 5.824 -15.887 -11.751 1.00 97.88 H +ATOM 715 C MET A 46 5.232 -15.580 -13.776 1.00 97.88 C +ATOM 716 CB MET A 46 4.203 -14.494 -11.717 1.00 97.88 C +ATOM 717 HB2 MET A 46 3.398 -15.224 -11.809 1.00 97.88 H +ATOM 718 HB3 MET A 46 3.900 -13.586 -12.238 1.00 97.88 H +ATOM 719 O MET A 46 4.868 -14.833 -14.684 1.00 97.88 O +ATOM 720 CG MET A 46 4.420 -14.177 -10.231 1.00 97.88 C +ATOM 721 HG2 MET A 46 3.512 -13.720 -9.839 1.00 97.88 H +ATOM 722 HG3 MET A 46 5.219 -13.440 -10.142 1.00 97.88 H +ATOM 723 SD MET A 46 4.822 -15.583 -9.156 1.00 97.88 S +ATOM 724 CE MET A 46 3.282 -16.531 -9.215 1.00 97.88 C +ATOM 725 HE1 MET A 46 3.118 -16.902 -10.227 1.00 97.88 H +ATOM 726 HE2 MET A 46 2.452 -15.895 -8.907 1.00 97.88 H +ATOM 727 HE3 MET A 46 3.362 -17.379 -8.535 1.00 97.88 H +ATOM 728 N ARG A 47 5.389 -16.891 -13.956 1.00 97.75 N +ATOM 729 H ARG A 47 5.732 -17.431 -13.175 1.00 97.75 H +ATOM 730 CA ARG A 47 5.162 -17.590 -15.227 1.00 97.75 C +ATOM 731 HA ARG A 47 4.883 -16.864 -15.991 1.00 97.75 H +ATOM 732 C ARG A 47 3.989 -18.549 -15.107 1.00 97.75 C +ATOM 733 CB ARG A 47 6.458 -18.276 -15.698 1.00 97.75 C +ATOM 734 HB2 ARG A 47 6.248 -18.874 -16.585 1.00 97.75 H +ATOM 735 HB3 ARG A 47 6.829 -18.935 -14.913 1.00 97.75 H +ATOM 736 O ARG A 47 3.690 -19.057 -14.026 1.00 97.75 O +ATOM 737 CG ARG A 47 7.532 -17.233 -16.049 1.00 97.75 C +ATOM 738 HG2 ARG A 47 7.171 -16.627 -16.880 1.00 97.75 H +ATOM 739 HG3 ARG A 47 7.703 -16.581 -15.192 1.00 97.75 H +ATOM 740 CD ARG A 47 8.873 -17.835 -16.475 1.00 97.75 C +ATOM 741 HD2 ARG A 47 9.249 -18.488 -15.688 1.00 97.75 H +ATOM 742 HD3 ARG A 47 8.735 -18.432 -17.376 1.00 97.75 H +ATOM 743 NE ARG A 47 9.848 -16.761 -16.750 1.00 97.75 N +ATOM 744 HE ARG A 47 9.993 -16.483 -17.710 1.00 97.75 H +ATOM 745 NH1 ARG A 47 10.550 -16.413 -14.580 1.00 97.75 N +ATOM 746 HH11 ARG A 47 11.088 -15.874 -13.916 1.00 97.75 H +ATOM 747 HH12 ARG A 47 9.986 -17.159 -14.201 1.00 97.75 H +ATOM 748 NH2 ARG A 47 11.272 -15.072 -16.157 1.00 97.75 N +ATOM 749 HH21 ARG A 47 11.230 -14.624 -17.062 1.00 97.75 H +ATOM 750 HH22 ARG A 47 11.719 -14.603 -15.382 1.00 97.75 H +ATOM 751 CZ ARG A 47 10.555 -16.102 -15.841 1.00 97.75 C +ATOM 752 N ASP A 48 3.299 -18.772 -16.215 1.00 96.25 N +ATOM 753 H ASP A 48 3.598 -18.324 -17.069 1.00 96.25 H +ATOM 754 CA ASP A 48 2.285 -19.814 -16.298 1.00 96.25 C +ATOM 755 HA ASP A 48 1.532 -19.626 -15.533 1.00 96.25 H +ATOM 756 C ASP A 48 2.948 -21.195 -16.090 1.00 96.25 C +ATOM 757 CB ASP A 48 1.573 -19.720 -17.641 1.00 96.25 C +ATOM 758 HB2 ASP A 48 2.321 -19.800 -18.430 1.00 96.25 H +ATOM 759 HB3 ASP A 48 1.087 -18.748 -17.726 1.00 96.25 H +ATOM 760 O ASP A 48 3.936 -21.502 -16.766 1.00 96.25 O +ATOM 761 CG ASP A 48 0.532 -20.829 -17.760 1.00 96.25 C +ATOM 762 OD1 ASP A 48 0.903 -21.909 -18.273 1.00 96.25 O +ATOM 763 OD2 ASP A 48 -0.596 -20.621 -17.277 1.00 96.25 O +ATOM 764 N PRO A 49 2.455 -22.039 -15.164 1.00 95.19 N +ATOM 765 CA PRO A 49 3.121 -23.298 -14.834 1.00 95.19 C +ATOM 766 HA PRO A 49 4.128 -23.069 -14.485 1.00 95.19 H +ATOM 767 C PRO A 49 3.217 -24.285 -16.003 1.00 95.19 C +ATOM 768 CB PRO A 49 2.316 -23.901 -13.679 1.00 95.19 C +ATOM 769 HB2 PRO A 49 2.956 -24.443 -12.982 1.00 95.19 H +ATOM 770 HB3 PRO A 49 1.536 -24.556 -14.065 1.00 95.19 H +ATOM 771 O PRO A 49 4.178 -25.058 -16.040 1.00 95.19 O +ATOM 772 CG PRO A 49 1.668 -22.686 -13.023 1.00 95.19 C +ATOM 773 HG2 PRO A 49 0.753 -22.951 -12.493 1.00 95.19 H +ATOM 774 HG3 PRO A 49 2.381 -22.208 -12.352 1.00 95.19 H +ATOM 775 CD PRO A 49 1.389 -21.769 -14.209 1.00 95.19 C +ATOM 776 HD2 PRO A 49 1.395 -20.738 -13.858 1.00 95.19 H +ATOM 777 HD3 PRO A 49 0.427 -22.016 -14.659 1.00 95.19 H +ATOM 778 N ASN A 50 2.263 -24.248 -16.941 1.00 96.31 N +ATOM 779 H ASN A 50 1.581 -23.503 -16.906 1.00 96.31 H +ATOM 780 CA ASN A 50 2.151 -25.199 -18.048 1.00 96.31 C +ATOM 781 HA ASN A 50 2.577 -26.158 -17.752 1.00 96.31 H +ATOM 782 C ASN A 50 2.920 -24.716 -19.283 1.00 96.31 C +ATOM 783 CB ASN A 50 0.662 -25.409 -18.378 1.00 96.31 C +ATOM 784 HB2 ASN A 50 0.573 -26.123 -19.197 1.00 96.31 H +ATOM 785 HB3 ASN A 50 0.222 -24.467 -18.704 1.00 96.31 H +ATOM 786 O ASN A 50 3.749 -25.435 -19.829 1.00 96.31 O +ATOM 787 CG ASN A 50 -0.132 -25.954 -17.208 1.00 96.31 C +ATOM 788 ND2 ASN A 50 -1.232 -25.326 -16.863 1.00 96.31 N +ATOM 789 HD21 ASN A 50 -1.513 -24.485 -17.346 1.00 96.31 H +ATOM 790 HD22 ASN A 50 -1.757 -25.728 -16.099 1.00 96.31 H +ATOM 791 OD1 ASN A 50 0.229 -26.932 -16.580 1.00 96.31 O +ATOM 792 N THR A 51 2.670 -23.477 -19.706 1.00 96.50 N +ATOM 793 H THR A 51 1.984 -22.945 -19.190 1.00 96.50 H +ATOM 794 CA THR A 51 3.246 -22.881 -20.922 1.00 96.50 C +ATOM 795 HA THR A 51 3.405 -23.669 -21.658 1.00 96.50 H +ATOM 796 C THR A 51 4.604 -22.223 -20.689 1.00 96.50 C +ATOM 797 CB THR A 51 2.292 -21.850 -21.546 1.00 96.50 C +ATOM 798 HB THR A 51 2.734 -21.476 -22.470 1.00 96.50 H +ATOM 799 O THR A 51 5.267 -21.847 -21.652 1.00 96.50 O +ATOM 800 CG2 THR A 51 0.908 -22.413 -21.863 1.00 96.50 C +ATOM 801 HG21 THR A 51 0.396 -22.720 -20.951 1.00 96.50 H +ATOM 802 HG22 THR A 51 1.007 -23.272 -22.526 1.00 96.50 H +ATOM 803 HG23 THR A 51 0.313 -21.649 -22.362 1.00 96.50 H +ATOM 804 OG1 THR A 51 2.102 -20.771 -20.667 1.00 96.50 O +ATOM 805 HG1 THR A 51 1.566 -21.104 -19.943 1.00 96.50 H +ATOM 806 N LYS A 52 5.008 -22.035 -19.423 1.00 94.38 N +ATOM 807 H LYS A 52 4.369 -22.320 -18.695 1.00 94.38 H +ATOM 808 CA LYS A 52 6.218 -21.305 -18.992 1.00 94.38 C +ATOM 809 HA LYS A 52 6.167 -21.210 -17.908 1.00 94.38 H +ATOM 810 C LYS A 52 6.295 -19.853 -19.472 1.00 94.38 C +ATOM 811 CB LYS A 52 7.496 -22.099 -19.331 1.00 94.38 C +ATOM 812 HB2 LYS A 52 7.633 -22.117 -20.412 1.00 94.38 H +ATOM 813 HB3 LYS A 52 8.354 -21.578 -18.905 1.00 94.38 H +ATOM 814 O LYS A 52 7.306 -19.188 -19.260 1.00 94.38 O +ATOM 815 CG LYS A 52 7.514 -23.545 -18.815 1.00 94.38 C +ATOM 816 HG2 LYS A 52 6.768 -24.133 -19.350 1.00 94.38 H +ATOM 817 HG3 LYS A 52 8.495 -23.969 -19.029 1.00 94.38 H +ATOM 818 CD LYS A 52 7.244 -23.639 -17.308 1.00 94.38 C +ATOM 819 HD2 LYS A 52 7.927 -22.983 -16.769 1.00 94.38 H +ATOM 820 HD3 LYS A 52 6.216 -23.336 -17.109 1.00 94.38 H +ATOM 821 CE LYS A 52 7.438 -25.083 -16.845 1.00 94.38 C +ATOM 822 HE2 LYS A 52 6.908 -25.738 -17.536 1.00 94.38 H +ATOM 823 HE3 LYS A 52 8.499 -25.329 -16.891 1.00 94.38 H +ATOM 824 NZ LYS A 52 6.909 -25.282 -15.477 1.00 94.38 N +ATOM 825 HZ1 LYS A 52 5.907 -25.161 -15.506 1.00 94.38 H +ATOM 826 HZ2 LYS A 52 7.087 -26.225 -15.162 1.00 94.38 H +ATOM 827 HZ3 LYS A 52 7.311 -24.621 -14.828 1.00 94.38 H +ATOM 828 N ARG A 53 5.223 -19.323 -20.064 1.00 95.88 N +ATOM 829 H ARG A 53 4.418 -19.919 -20.194 1.00 95.88 H +ATOM 830 CA ARG A 53 5.157 -17.938 -20.528 1.00 95.88 C +ATOM 831 HA ARG A 53 6.082 -17.720 -21.061 1.00 95.88 H +ATOM 832 C ARG A 53 5.064 -16.986 -19.335 1.00 95.88 C +ATOM 833 CB ARG A 53 3.977 -17.799 -21.499 1.00 95.88 C +ATOM 834 HB2 ARG A 53 3.043 -17.939 -20.955 1.00 95.88 H +ATOM 835 HB3 ARG A 53 4.053 -18.576 -22.260 1.00 95.88 H +ATOM 836 O ARG A 53 4.335 -17.258 -18.381 1.00 95.88 O +ATOM 837 CG ARG A 53 3.969 -16.426 -22.185 1.00 95.88 C +ATOM 838 HG2 ARG A 53 3.887 -15.647 -21.426 1.00 95.88 H +ATOM 839 HG3 ARG A 53 4.902 -16.276 -22.729 1.00 95.88 H +ATOM 840 CD ARG A 53 2.786 -16.256 -23.139 1.00 95.88 C +ATOM 841 HD2 ARG A 53 2.719 -15.195 -23.379 1.00 95.88 H +ATOM 842 HD3 ARG A 53 1.868 -16.551 -22.631 1.00 95.88 H +ATOM 843 NE ARG A 53 2.952 -17.042 -24.379 1.00 95.88 N +ATOM 844 HE ARG A 53 3.498 -17.889 -24.309 1.00 95.88 H +ATOM 845 NH1 ARG A 53 1.753 -15.661 -25.771 1.00 95.88 N +ATOM 846 HH11 ARG A 53 1.560 -15.052 -24.989 1.00 95.88 H +ATOM 847 HH12 ARG A 53 1.425 -15.422 -26.696 1.00 95.88 H +ATOM 848 NH2 ARG A 53 2.731 -17.482 -26.604 1.00 95.88 N +ATOM 849 HH21 ARG A 53 3.317 -18.299 -26.505 1.00 95.88 H +ATOM 850 HH22 ARG A 53 2.391 -17.224 -27.519 1.00 95.88 H +ATOM 851 CZ ARG A 53 2.479 -16.727 -25.572 1.00 95.88 C +ATOM 852 N SER A 54 5.770 -15.858 -19.403 1.00 97.19 N +ATOM 853 H SER A 54 6.371 -15.710 -20.201 1.00 97.19 H +ATOM 854 CA SER A 54 5.626 -14.766 -18.434 1.00 97.19 C +ATOM 855 HA SER A 54 5.899 -15.119 -17.439 1.00 97.19 H +ATOM 856 C SER A 54 4.180 -14.280 -18.359 1.00 97.19 C +ATOM 857 CB SER A 54 6.571 -13.615 -18.785 1.00 97.19 C +ATOM 858 HB2 SER A 54 6.366 -13.283 -19.802 1.00 97.19 H +ATOM 859 HB3 SER A 54 7.603 -13.961 -18.727 1.00 97.19 H +ATOM 860 O SER A 54 3.499 -14.134 -19.375 1.00 97.19 O +ATOM 861 OG SER A 54 6.387 -12.536 -17.887 1.00 97.19 O +ATOM 862 HG SER A 54 7.137 -11.945 -17.985 1.00 97.19 H +ATOM 863 N ARG A 55 3.711 -14.012 -17.140 1.00 97.62 N +ATOM 864 H ARG A 55 4.325 -14.169 -16.354 1.00 97.62 H +ATOM 865 CA ARG A 55 2.396 -13.415 -16.877 1.00 97.62 C +ATOM 866 HA ARG A 55 1.717 -13.690 -17.684 1.00 97.62 H +ATOM 867 C ARG A 55 2.442 -11.883 -16.897 1.00 97.62 C +ATOM 868 CB ARG A 55 1.827 -13.964 -15.559 1.00 97.62 C +ATOM 869 HB2 ARG A 55 0.872 -13.474 -15.368 1.00 97.62 H +ATOM 870 HB3 ARG A 55 2.506 -13.716 -14.744 1.00 97.62 H +ATOM 871 O ARG A 55 1.421 -11.259 -16.629 1.00 97.62 O +ATOM 872 CG ARG A 55 1.590 -15.485 -15.601 1.00 97.62 C +ATOM 873 HG2 ARG A 55 2.505 -15.990 -15.911 1.00 97.62 H +ATOM 874 HG3 ARG A 55 0.814 -15.712 -16.331 1.00 97.62 H +ATOM 875 CD ARG A 55 1.189 -16.047 -14.232 1.00 97.62 C +ATOM 876 HD2 ARG A 55 1.998 -15.841 -13.530 1.00 97.62 H +ATOM 877 HD3 ARG A 55 1.081 -17.128 -14.325 1.00 97.62 H +ATOM 878 NE ARG A 55 -0.075 -15.464 -13.735 1.00 97.62 N +ATOM 879 HE ARG A 55 -0.601 -14.915 -14.400 1.00 97.62 H +ATOM 880 NH1 ARG A 55 0.014 -16.316 -11.610 1.00 97.62 N +ATOM 881 HH11 ARG A 55 -0.391 -16.426 -10.691 1.00 97.62 H +ATOM 882 HH12 ARG A 55 0.834 -16.839 -11.883 1.00 97.62 H +ATOM 883 NH2 ARG A 55 -1.654 -14.942 -12.178 1.00 97.62 N +ATOM 884 HH21 ARG A 55 -2.125 -14.355 -12.851 1.00 97.62 H +ATOM 885 HH22 ARG A 55 -2.032 -15.026 -11.245 1.00 97.62 H +ATOM 886 CZ ARG A 55 -0.566 -15.578 -12.515 1.00 97.62 C +ATOM 887 N GLY A 56 3.597 -11.278 -17.192 1.00 97.56 N +ATOM 888 H GLY A 56 4.401 -11.852 -17.401 1.00 97.56 H +ATOM 889 CA GLY A 56 3.763 -9.820 -17.262 1.00 97.56 C +ATOM 890 HA2 GLY A 56 4.706 -9.597 -17.762 1.00 97.56 H +ATOM 891 HA3 GLY A 56 2.956 -9.390 -17.855 1.00 97.56 H +ATOM 892 C GLY A 56 3.779 -9.120 -15.898 1.00 97.56 C +ATOM 893 O GLY A 56 3.534 -7.917 -15.819 1.00 97.56 O +ATOM 894 N PHE A 57 4.043 -9.857 -14.818 1.00 98.12 N +ATOM 895 H PHE A 57 4.265 -10.835 -14.936 1.00 98.12 H +ATOM 896 CA PHE A 57 4.247 -9.299 -13.483 1.00 98.12 C +ATOM 897 HA PHE A 57 4.725 -8.325 -13.591 1.00 98.12 H +ATOM 898 C PHE A 57 5.179 -10.184 -12.652 1.00 98.12 C +ATOM 899 CB PHE A 57 2.905 -9.097 -12.765 1.00 98.12 C +ATOM 900 HB2 PHE A 57 3.064 -8.425 -11.922 1.00 98.12 H +ATOM 901 HB3 PHE A 57 2.204 -8.598 -13.434 1.00 98.12 H +ATOM 902 O PHE A 57 5.374 -11.366 -12.954 1.00 98.12 O +ATOM 903 CG PHE A 57 2.275 -10.369 -12.236 1.00 98.12 C +ATOM 904 CD1 PHE A 57 1.459 -11.151 -13.070 1.00 98.12 C +ATOM 905 HD1 PHE A 57 1.289 -10.844 -14.091 1.00 98.12 H +ATOM 906 CD2 PHE A 57 2.484 -10.755 -10.900 1.00 98.12 C +ATOM 907 HD2 PHE A 57 3.109 -10.157 -10.254 1.00 98.12 H +ATOM 908 CE1 PHE A 57 0.844 -12.309 -12.567 1.00 98.12 C +ATOM 909 HE1 PHE A 57 0.191 -12.876 -13.213 1.00 98.12 H +ATOM 910 CE2 PHE A 57 1.842 -11.895 -10.393 1.00 98.12 C +ATOM 911 HE2 PHE A 57 1.962 -12.150 -9.350 1.00 98.12 H +ATOM 912 CZ PHE A 57 1.037 -12.685 -11.227 1.00 98.12 C +ATOM 913 HZ PHE A 57 0.545 -13.556 -10.821 1.00 98.12 H +ATOM 914 N GLY A 58 5.733 -9.613 -11.591 1.00 98.06 N +ATOM 915 H GLY A 58 5.529 -8.641 -11.408 1.00 98.06 H +ATOM 916 CA GLY A 58 6.627 -10.299 -10.669 1.00 98.06 C +ATOM 917 HA2 GLY A 58 7.657 -10.168 -11.000 1.00 98.06 H +ATOM 918 HA3 GLY A 58 6.408 -11.366 -10.650 1.00 98.06 H +ATOM 919 C GLY A 58 6.507 -9.770 -9.248 1.00 98.06 C +ATOM 920 O GLY A 58 5.695 -8.886 -8.961 1.00 98.06 O +ATOM 921 N PHE A 59 7.326 -10.326 -8.367 1.00 98.38 N +ATOM 922 H PHE A 59 7.978 -11.025 -8.693 1.00 98.38 H +ATOM 923 CA PHE A 59 7.493 -9.850 -7.003 1.00 98.38 C +ATOM 924 HA PHE A 59 7.021 -8.872 -6.914 1.00 98.38 H +ATOM 925 C PHE A 59 8.969 -9.685 -6.684 1.00 98.38 C +ATOM 926 CB PHE A 59 6.837 -10.801 -5.999 1.00 98.38 C +ATOM 927 HB2 PHE A 59 7.280 -11.792 -6.103 1.00 98.38 H +ATOM 928 HB3 PHE A 59 7.067 -10.446 -4.994 1.00 98.38 H +ATOM 929 O PHE A 59 9.791 -10.502 -7.097 1.00 98.38 O +ATOM 930 CG PHE A 59 5.334 -10.904 -6.134 1.00 98.38 C +ATOM 931 CD1 PHE A 59 4.503 -9.971 -5.487 1.00 98.38 C +ATOM 932 HD1 PHE A 59 4.941 -9.171 -4.909 1.00 98.38 H +ATOM 933 CD2 PHE A 59 4.767 -11.939 -6.898 1.00 98.38 C +ATOM 934 HD2 PHE A 59 5.408 -12.655 -7.391 1.00 98.38 H +ATOM 935 CE1 PHE A 59 3.106 -10.073 -5.604 1.00 98.38 C +ATOM 936 HE1 PHE A 59 2.472 -9.356 -5.104 1.00 98.38 H +ATOM 937 CE2 PHE A 59 3.370 -12.048 -7.003 1.00 98.38 C +ATOM 938 HE2 PHE A 59 2.944 -12.872 -7.557 1.00 98.38 H +ATOM 939 CZ PHE A 59 2.538 -11.109 -6.366 1.00 98.38 C +ATOM 940 HZ PHE A 59 1.464 -11.190 -6.446 1.00 98.38 H +ATOM 941 N VAL A 60 9.271 -8.654 -5.905 1.00 98.38 N +ATOM 942 H VAL A 60 8.527 -8.045 -5.596 1.00 98.38 H +ATOM 943 CA VAL A 60 10.591 -8.441 -5.311 1.00 98.38 C +ATOM 944 HA VAL A 60 11.200 -9.332 -5.460 1.00 98.38 H +ATOM 945 C VAL A 60 10.420 -8.264 -3.809 1.00 98.38 C +ATOM 946 CB VAL A 60 11.348 -7.267 -5.968 1.00 98.38 C +ATOM 947 HB VAL A 60 12.340 -7.213 -5.518 1.00 98.38 H +ATOM 948 O VAL A 60 9.473 -7.612 -3.370 1.00 98.38 O +ATOM 949 CG1 VAL A 60 11.533 -7.500 -7.471 1.00 98.38 C +ATOM 950 HG11 VAL A 60 12.201 -6.743 -7.882 1.00 98.38 H +ATOM 951 HG12 VAL A 60 11.978 -8.482 -7.631 1.00 98.38 H +ATOM 952 HG13 VAL A 60 10.577 -7.451 -7.992 1.00 98.38 H +ATOM 953 CG2 VAL A 60 10.671 -5.908 -5.791 1.00 98.38 C +ATOM 954 HG21 VAL A 60 10.628 -5.648 -4.733 1.00 98.38 H +ATOM 955 HG22 VAL A 60 11.254 -5.140 -6.300 1.00 98.38 H +ATOM 956 HG23 VAL A 60 9.670 -5.938 -6.220 1.00 98.38 H +ATOM 957 N THR A 61 11.300 -8.864 -3.018 1.00 98.00 N +ATOM 958 H THR A 61 12.024 -9.426 -3.443 1.00 98.00 H +ATOM 959 CA THR A 61 11.282 -8.766 -1.557 1.00 98.00 C +ATOM 960 HA THR A 61 10.496 -8.080 -1.240 1.00 98.00 H +ATOM 961 C THR A 61 12.619 -8.224 -1.080 1.00 98.00 C +ATOM 962 CB THR A 61 11.006 -10.120 -0.893 1.00 98.00 C +ATOM 963 HB THR A 61 11.859 -10.775 -1.072 1.00 98.00 H +ATOM 964 O THR A 61 13.634 -8.917 -1.167 1.00 98.00 O +ATOM 965 CG2 THR A 61 10.809 -9.974 0.612 1.00 98.00 C +ATOM 966 HG21 THR A 61 10.833 -10.970 1.053 1.00 98.00 H +ATOM 967 HG22 THR A 61 11.615 -9.387 1.052 1.00 98.00 H +ATOM 968 HG23 THR A 61 9.858 -9.485 0.822 1.00 98.00 H +ATOM 969 OG1 THR A 61 9.837 -10.742 -1.389 1.00 98.00 O +ATOM 970 HG1 THR A 61 9.949 -11.679 -1.212 1.00 98.00 H +ATOM 971 N TYR A 62 12.620 -7.014 -0.534 1.00 98.38 N +ATOM 972 H TYR A 62 11.741 -6.526 -0.437 1.00 98.38 H +ATOM 973 CA TYR A 62 13.810 -6.363 0.013 1.00 98.38 C +ATOM 974 HA TYR A 62 14.654 -6.537 -0.655 1.00 98.38 H +ATOM 975 C TYR A 62 14.212 -6.917 1.383 1.00 98.38 C +ATOM 976 CB TYR A 62 13.560 -4.859 0.056 1.00 98.38 C +ATOM 977 HB2 TYR A 62 12.580 -4.654 0.485 1.00 98.38 H +ATOM 978 HB3 TYR A 62 14.299 -4.400 0.712 1.00 98.38 H +ATOM 979 O TYR A 62 13.456 -7.667 2.007 1.00 98.38 O +ATOM 980 CG TYR A 62 13.684 -4.220 -1.307 1.00 98.38 C +ATOM 981 CD1 TYR A 62 14.963 -3.967 -1.837 1.00 98.38 C +ATOM 982 HD1 TYR A 62 15.840 -4.211 -1.257 1.00 98.38 H +ATOM 983 CD2 TYR A 62 12.534 -3.913 -2.055 1.00 98.38 C +ATOM 984 HD2 TYR A 62 11.555 -4.140 -1.661 1.00 98.38 H +ATOM 985 CE1 TYR A 62 15.095 -3.386 -3.112 1.00 98.38 C +ATOM 986 HE1 TYR A 62 16.075 -3.195 -3.525 1.00 98.38 H +ATOM 987 CE2 TYR A 62 12.661 -3.305 -3.315 1.00 98.38 C +ATOM 988 HE2 TYR A 62 11.790 -3.035 -3.894 1.00 98.38 H +ATOM 989 OH TYR A 62 14.047 -2.496 -5.073 1.00 98.38 O +ATOM 990 HH TYR A 62 14.962 -2.510 -5.362 1.00 98.38 H +ATOM 991 CZ TYR A 62 13.939 -3.041 -3.841 1.00 98.38 C +ATOM 992 N ALA A 63 15.407 -6.585 1.861 1.00 96.31 N +ATOM 993 H ALA A 63 15.959 -5.899 1.365 1.00 96.31 H +ATOM 994 CA ALA A 63 15.892 -6.982 3.175 1.00 96.31 C +ATOM 995 HA ALA A 63 15.604 -8.017 3.359 1.00 96.31 H +ATOM 996 C ALA A 63 15.260 -6.136 4.286 1.00 96.31 C +ATOM 997 CB ALA A 63 17.422 -6.910 3.185 1.00 96.31 C +ATOM 998 HB1 ALA A 63 17.799 -7.245 4.152 1.00 96.31 H +ATOM 999 HB2 ALA A 63 17.750 -5.885 3.016 1.00 96.31 H +ATOM 1000 HB3 ALA A 63 17.827 -7.546 2.398 1.00 96.31 H +ATOM 1001 O ALA A 63 15.005 -6.686 5.361 1.00 96.31 O +ATOM 1002 N THR A 64 14.938 -4.867 4.014 1.00 96.56 N +ATOM 1003 H THR A 64 15.256 -4.471 3.141 1.00 96.56 H +ATOM 1004 CA THR A 64 14.265 -3.954 4.958 1.00 96.56 C +ATOM 1005 HA THR A 64 13.873 -4.539 5.790 1.00 96.56 H +ATOM 1006 C THR A 64 13.072 -3.220 4.332 1.00 96.56 C +ATOM 1007 CB THR A 64 15.241 -2.936 5.570 1.00 96.56 C +ATOM 1008 HB THR A 64 14.736 -2.423 6.388 1.00 96.56 H +ATOM 1009 O THR A 64 12.927 -3.150 3.110 1.00 96.56 O +ATOM 1010 CG2 THR A 64 16.521 -3.576 6.113 1.00 96.56 C +ATOM 1011 HG21 THR A 64 16.261 -4.391 6.788 1.00 96.56 H +ATOM 1012 HG22 THR A 64 17.131 -3.954 5.293 1.00 96.56 H +ATOM 1013 HG23 THR A 64 17.090 -2.827 6.664 1.00 96.56 H +ATOM 1014 OG1 THR A 64 15.614 -1.981 4.611 1.00 96.56 O +ATOM 1015 HG1 THR A 64 16.194 -1.342 5.031 1.00 96.56 H +ATOM 1016 N VAL A 65 12.180 -2.681 5.167 1.00 95.50 N +ATOM 1017 H VAL A 65 12.281 -2.870 6.154 1.00 95.50 H +ATOM 1018 CA VAL A 65 11.054 -1.831 4.733 1.00 95.50 C +ATOM 1019 HA VAL A 65 10.530 -2.332 3.919 1.00 95.50 H +ATOM 1020 C VAL A 65 11.551 -0.494 4.172 1.00 95.50 C +ATOM 1021 CB VAL A 65 10.054 -1.621 5.890 1.00 95.50 C +ATOM 1022 HB VAL A 65 10.584 -1.242 6.763 1.00 95.50 H +ATOM 1023 O VAL A 65 10.964 0.023 3.226 1.00 95.50 O +ATOM 1024 CG1 VAL A 65 8.927 -0.641 5.532 1.00 95.50 C +ATOM 1025 HG11 VAL A 65 8.425 -0.965 4.619 1.00 95.50 H +ATOM 1026 HG12 VAL A 65 9.334 0.358 5.380 1.00 95.50 H +ATOM 1027 HG13 VAL A 65 8.211 -0.584 6.352 1.00 95.50 H +ATOM 1028 CG2 VAL A 65 9.363 -2.946 6.250 1.00 95.50 C +ATOM 1029 HG21 VAL A 65 8.718 -2.797 7.115 1.00 95.50 H +ATOM 1030 HG22 VAL A 65 8.779 -3.298 5.400 1.00 95.50 H +ATOM 1031 HG23 VAL A 65 10.105 -3.704 6.503 1.00 95.50 H +ATOM 1032 N GLU A 66 12.669 0.029 4.673 1.00 96.38 N +ATOM 1033 H GLU A 66 13.106 -0.425 5.463 1.00 96.38 H +ATOM 1034 CA GLU A 66 13.281 1.266 4.164 1.00 96.38 C +ATOM 1035 HA GLU A 66 12.561 2.081 4.233 1.00 96.38 H +ATOM 1036 C GLU A 66 13.703 1.140 2.690 1.00 96.38 C +ATOM 1037 CB GLU A 66 14.512 1.618 5.012 1.00 96.38 C +ATOM 1038 HB2 GLU A 66 15.220 0.791 4.954 1.00 96.38 H +ATOM 1039 HB3 GLU A 66 14.982 2.504 4.588 1.00 96.38 H +ATOM 1040 O GLU A 66 13.511 2.063 1.900 1.00 96.38 O +ATOM 1041 CG GLU A 66 14.180 1.898 6.488 1.00 96.38 C +ATOM 1042 HG2 GLU A 66 13.686 1.025 6.916 1.00 96.38 H +ATOM 1043 HG3 GLU A 66 13.485 2.737 6.534 1.00 96.38 H +ATOM 1044 CD GLU A 66 15.426 2.215 7.333 1.00 96.38 C +ATOM 1045 OE1 GLU A 66 15.240 2.594 8.511 1.00 96.38 O +ATOM 1046 OE2 GLU A 66 16.558 2.049 6.821 1.00 96.38 O +ATOM 1047 N GLU A 67 14.215 -0.026 2.285 1.00 97.69 N +ATOM 1048 H GLU A 67 14.381 -0.745 2.974 1.00 97.69 H +ATOM 1049 CA GLU A 67 14.558 -0.318 0.886 1.00 97.69 C +ATOM 1050 HA GLU A 67 15.201 0.466 0.488 1.00 97.69 H +ATOM 1051 C GLU A 67 13.304 -0.397 -0.007 1.00 97.69 C +ATOM 1052 CB GLU A 67 15.317 -1.647 0.833 1.00 97.69 C +ATOM 1053 HB2 GLU A 67 14.702 -2.386 1.346 1.00 97.69 H +ATOM 1054 HB3 GLU A 67 15.422 -1.938 -0.212 1.00 97.69 H +ATOM 1055 O GLU A 67 13.326 0.034 -1.163 1.00 97.69 O +ATOM 1056 CG GLU A 67 16.720 -1.636 1.466 1.00 97.69 C +ATOM 1057 HG2 GLU A 67 16.678 -1.211 2.469 1.00 97.69 H +ATOM 1058 HG3 GLU A 67 17.360 -0.983 0.871 1.00 97.69 H +ATOM 1059 CD GLU A 67 17.341 -3.046 1.531 1.00 97.69 C +ATOM 1060 OE1 GLU A 67 18.584 -3.169 1.417 1.00 97.69 O +ATOM 1061 OE2 GLU A 67 16.596 -4.052 1.616 1.00 97.69 O +ATOM 1062 N VAL A 68 12.174 -0.874 0.536 1.00 97.75 N +ATOM 1063 H VAL A 68 12.206 -1.164 1.503 1.00 97.75 H +ATOM 1064 CA VAL A 68 10.872 -0.797 -0.151 1.00 97.75 C +ATOM 1065 HA VAL A 68 10.973 -1.261 -1.132 1.00 97.75 H +ATOM 1066 C VAL A 68 10.468 0.654 -0.374 1.00 97.75 C +ATOM 1067 CB VAL A 68 9.745 -1.507 0.623 1.00 97.75 C +ATOM 1068 HB VAL A 68 9.627 -1.094 1.625 1.00 97.75 H +ATOM 1069 O VAL A 68 10.054 1.006 -1.480 1.00 97.75 O +ATOM 1070 CG1 VAL A 68 8.392 -1.371 -0.076 1.00 97.75 C +ATOM 1071 HG11 VAL A 68 8.076 -0.329 -0.110 1.00 97.75 H +ATOM 1072 HG12 VAL A 68 7.627 -1.942 0.451 1.00 97.75 H +ATOM 1073 HG13 VAL A 68 8.518 -1.753 -1.089 1.00 97.75 H +ATOM 1074 CG2 VAL A 68 10.004 -2.999 0.738 1.00 97.75 C +ATOM 1075 HG21 VAL A 68 10.148 -3.433 -0.251 1.00 97.75 H +ATOM 1076 HG22 VAL A 68 9.116 -3.445 1.186 1.00 97.75 H +ATOM 1077 HG23 VAL A 68 10.877 -3.182 1.364 1.00 97.75 H +ATOM 1078 N ASP A 69 10.571 1.493 0.658 1.00 97.12 N +ATOM 1079 H ASP A 69 10.930 1.142 1.534 1.00 97.12 H +ATOM 1080 CA ASP A 69 10.264 2.920 0.554 1.00 97.12 C +ATOM 1081 HA ASP A 69 9.243 3.036 0.190 1.00 97.12 H +ATOM 1082 C ASP A 69 11.172 3.608 -0.474 1.00 97.12 C +ATOM 1083 CB ASP A 69 10.367 3.596 1.933 1.00 97.12 C +ATOM 1084 HB2 ASP A 69 11.299 3.311 2.420 1.00 97.12 H +ATOM 1085 HB3 ASP A 69 10.383 4.676 1.788 1.00 97.12 H +ATOM 1086 O ASP A 69 10.678 4.365 -1.310 1.00 97.12 O +ATOM 1087 CG ASP A 69 9.181 3.271 2.845 1.00 97.12 C +ATOM 1088 OD1 ASP A 69 8.028 3.330 2.353 1.00 97.12 O +ATOM 1089 OD2 ASP A 69 9.373 3.010 4.045 1.00 97.12 O +ATOM 1090 N ALA A 70 12.471 3.298 -0.491 1.00 97.94 N +ATOM 1091 H ALA A 70 12.827 2.692 0.235 1.00 97.94 H +ATOM 1092 CA ALA A 70 13.413 3.824 -1.478 1.00 97.94 C +ATOM 1093 HA ALA A 70 13.414 4.912 -1.410 1.00 97.94 H +ATOM 1094 C ALA A 70 13.013 3.452 -2.916 1.00 97.94 C +ATOM 1095 CB ALA A 70 14.820 3.320 -1.133 1.00 97.94 C +ATOM 1096 HB1 ALA A 70 15.545 3.744 -1.827 1.00 97.94 H +ATOM 1097 HB2 ALA A 70 15.082 3.619 -0.118 1.00 97.94 H +ATOM 1098 HB3 ALA A 70 14.860 2.233 -1.200 1.00 97.94 H +ATOM 1099 O ALA A 70 12.941 4.326 -3.786 1.00 97.94 O +ATOM 1100 N ALA A 71 12.677 2.182 -3.159 1.00 98.06 N +ATOM 1101 H ALA A 71 12.781 1.504 -2.417 1.00 98.06 H +ATOM 1102 CA ALA A 71 12.210 1.724 -4.463 1.00 98.06 C +ATOM 1103 HA ALA A 71 12.951 1.999 -5.213 1.00 98.06 H +ATOM 1104 C ALA A 71 10.874 2.380 -4.858 1.00 98.06 C +ATOM 1105 CB ALA A 71 12.103 0.198 -4.427 1.00 98.06 C +ATOM 1106 HB1 ALA A 71 11.831 -0.180 -5.412 1.00 98.06 H +ATOM 1107 HB2 ALA A 71 11.357 -0.108 -3.694 1.00 98.06 H +ATOM 1108 HB3 ALA A 71 13.066 -0.221 -4.135 1.00 98.06 H +ATOM 1109 O ALA A 71 10.710 2.822 -5.996 1.00 98.06 O +ATOM 1110 N MET A 72 9.917 2.505 -3.934 1.00 98.00 N +ATOM 1111 H MET A 72 10.091 2.138 -3.010 1.00 98.00 H +ATOM 1112 CA MET A 72 8.635 3.166 -4.208 1.00 98.00 C +ATOM 1113 HA MET A 72 8.218 2.739 -5.119 1.00 98.00 H +ATOM 1114 C MET A 72 8.799 4.668 -4.475 1.00 98.00 C +ATOM 1115 CB MET A 72 7.645 2.917 -3.059 1.00 98.00 C +ATOM 1116 HB2 MET A 72 8.127 3.141 -2.107 1.00 98.00 H +ATOM 1117 HB3 MET A 72 6.793 3.588 -3.167 1.00 98.00 H +ATOM 1118 O MET A 72 8.114 5.203 -5.348 1.00 98.00 O +ATOM 1119 CG MET A 72 7.133 1.470 -3.038 1.00 98.00 C +ATOM 1120 HG2 MET A 72 7.987 0.809 -2.891 1.00 98.00 H +ATOM 1121 HG3 MET A 72 6.474 1.351 -2.178 1.00 98.00 H +ATOM 1122 SD MET A 72 6.244 0.911 -4.528 1.00 98.00 S +ATOM 1123 CE MET A 72 4.718 1.878 -4.381 1.00 98.00 C +ATOM 1124 HE1 MET A 72 4.088 1.702 -5.253 1.00 98.00 H +ATOM 1125 HE2 MET A 72 4.181 1.579 -3.480 1.00 98.00 H +ATOM 1126 HE3 MET A 72 4.953 2.940 -4.319 1.00 98.00 H +ATOM 1127 N ASN A 73 9.721 5.350 -3.800 1.00 97.06 N +ATOM 1128 H ASN A 73 10.215 4.882 -3.054 1.00 97.06 H +ATOM 1129 CA ASN A 73 9.991 6.774 -4.016 1.00 97.06 C +ATOM 1130 HA ASN A 73 9.046 7.316 -4.057 1.00 97.06 H +ATOM 1131 C ASN A 73 10.703 7.053 -5.348 1.00 97.06 C +ATOM 1132 CB ASN A 73 10.797 7.299 -2.819 1.00 97.06 C +ATOM 1133 HB2 ASN A 73 11.160 8.303 -3.041 1.00 97.06 H +ATOM 1134 HB3 ASN A 73 11.658 6.654 -2.646 1.00 97.06 H +ATOM 1135 O ASN A 73 10.562 8.140 -5.900 1.00 97.06 O +ATOM 1136 CG ASN A 73 9.962 7.393 -1.553 1.00 97.06 C +ATOM 1137 ND2 ASN A 73 10.583 7.328 -0.399 1.00 97.06 N +ATOM 1138 HD21 ASN A 73 11.561 7.076 -0.364 1.00 97.06 H +ATOM 1139 HD22 ASN A 73 9.995 7.341 0.421 1.00 97.06 H +ATOM 1140 OD1 ASN A 73 8.754 7.556 -1.577 1.00 97.06 O +ATOM 1141 N ALA A 74 11.420 6.071 -5.898 1.00 97.75 N +ATOM 1142 H ALA A 74 11.568 5.232 -5.356 1.00 97.75 H +ATOM 1143 CA ALA A 74 12.135 6.195 -7.168 1.00 97.75 C +ATOM 1144 HA ALA A 74 12.485 7.223 -7.262 1.00 97.75 H +ATOM 1145 C ALA A 74 11.279 5.918 -8.422 1.00 97.75 C +ATOM 1146 CB ALA A 74 13.366 5.296 -7.091 1.00 97.75 C +ATOM 1147 HB1 ALA A 74 13.061 4.254 -6.999 1.00 97.75 H +ATOM 1148 HB2 ALA A 74 13.962 5.573 -6.222 1.00 97.75 H +ATOM 1149 HB3 ALA A 74 13.966 5.417 -7.993 1.00 97.75 H +ATOM 1150 O ALA A 74 11.815 5.867 -9.529 1.00 97.75 O +ATOM 1151 N ARG A 75 9.956 5.732 -8.282 1.00 97.12 N +ATOM 1152 H ARG A 75 9.574 5.841 -7.353 1.00 97.12 H +ATOM 1153 CA ARG A 75 9.034 5.625 -9.430 1.00 97.12 C +ATOM 1154 HA ARG A 75 9.365 4.779 -10.033 1.00 97.12 H +ATOM 1155 C ARG A 75 9.119 6.894 -10.310 1.00 97.12 C +ATOM 1156 CB ARG A 75 7.586 5.407 -8.942 1.00 97.12 C +ATOM 1157 HB2 ARG A 75 6.899 5.657 -9.751 1.00 97.12 H +ATOM 1158 HB3 ARG A 75 7.393 6.105 -8.127 1.00 97.12 H +ATOM 1159 O ARG A 75 9.245 7.991 -9.772 1.00 97.12 O +ATOM 1160 CG ARG A 75 7.266 3.969 -8.489 1.00 97.12 C +ATOM 1161 HG2 ARG A 75 8.003 3.635 -7.759 1.00 97.12 H +ATOM 1162 HG3 ARG A 75 7.311 3.320 -9.364 1.00 97.12 H +ATOM 1163 CD ARG A 75 5.851 3.836 -7.891 1.00 97.12 C +ATOM 1164 HD2 ARG A 75 5.117 4.216 -8.602 1.00 97.12 H +ATOM 1165 HD3 ARG A 75 5.641 2.785 -7.696 1.00 97.12 H +ATOM 1166 NE ARG A 75 5.772 4.581 -6.634 1.00 97.12 N +ATOM 1167 HE ARG A 75 6.658 4.739 -6.176 1.00 97.12 H +ATOM 1168 NH1 ARG A 75 3.540 5.221 -6.433 1.00 97.12 N +ATOM 1169 HH11 ARG A 75 3.170 4.581 -7.121 1.00 97.12 H +ATOM 1170 HH12 ARG A 75 2.921 5.879 -5.982 1.00 97.12 H +ATOM 1171 NH2 ARG A 75 5.070 5.969 -5.042 1.00 97.12 N +ATOM 1172 HH21 ARG A 75 6.025 6.073 -4.729 1.00 97.12 H +ATOM 1173 HH22 ARG A 75 4.350 6.480 -4.551 1.00 97.12 H +ATOM 1174 CZ ARG A 75 4.781 5.235 -6.063 1.00 97.12 C +ATOM 1175 N PRO A 76 8.947 6.791 -11.643 1.00 97.25 N +ATOM 1176 CA PRO A 76 8.620 5.590 -12.413 1.00 97.25 C +ATOM 1177 HA PRO A 76 7.866 5.001 -11.892 1.00 97.25 H +ATOM 1178 C PRO A 76 9.839 4.701 -12.700 1.00 97.25 C +ATOM 1179 CB PRO A 76 8.016 6.122 -13.716 1.00 97.25 C +ATOM 1180 HB2 PRO A 76 8.147 5.430 -14.548 1.00 97.25 H +ATOM 1181 HB3 PRO A 76 6.959 6.339 -13.565 1.00 97.25 H +ATOM 1182 O PRO A 76 10.940 5.183 -12.936 1.00 97.25 O +ATOM 1183 CG PRO A 76 8.778 7.430 -13.937 1.00 97.25 C +ATOM 1184 HG2 PRO A 76 8.211 8.131 -14.549 1.00 97.25 H +ATOM 1185 HG3 PRO A 76 9.746 7.222 -14.393 1.00 97.25 H +ATOM 1186 CD PRO A 76 8.982 7.956 -12.518 1.00 97.25 C +ATOM 1187 HD2 PRO A 76 8.169 8.632 -12.252 1.00 97.25 H +ATOM 1188 HD3 PRO A 76 9.938 8.474 -12.437 1.00 97.25 H +ATOM 1189 N HIS A 77 9.603 3.389 -12.772 1.00 97.94 N +ATOM 1190 H HIS A 77 8.654 3.061 -12.666 1.00 97.94 H +ATOM 1191 CA HIS A 77 10.629 2.388 -13.084 1.00 97.94 C +ATOM 1192 HA HIS A 77 11.620 2.824 -12.956 1.00 97.94 H +ATOM 1193 C HIS A 77 10.506 1.898 -14.521 1.00 97.94 C +ATOM 1194 CB HIS A 77 10.517 1.221 -12.108 1.00 97.94 C +ATOM 1195 HB2 HIS A 77 9.480 0.888 -12.064 1.00 97.94 H +ATOM 1196 HB3 HIS A 77 11.143 0.394 -12.443 1.00 97.94 H +ATOM 1197 O HIS A 77 9.401 1.823 -15.066 1.00 97.94 O +ATOM 1198 CG HIS A 77 10.941 1.600 -10.729 1.00 97.94 C +ATOM 1199 CD2 HIS A 77 10.134 2.095 -9.756 1.00 97.94 C +ATOM 1200 HD2 HIS A 77 9.080 2.310 -9.856 1.00 97.94 H +ATOM 1201 ND1 HIS A 77 12.240 1.566 -10.265 1.00 97.94 N +ATOM 1202 CE1 HIS A 77 12.194 2.015 -9.004 1.00 97.94 C +ATOM 1203 HE1 HIS A 77 13.043 2.095 -8.340 1.00 97.94 H +ATOM 1204 NE2 HIS A 77 10.938 2.329 -8.670 1.00 97.94 N +ATOM 1205 HE2 HIS A 77 10.672 2.682 -7.762 1.00 97.94 H +ATOM 1206 N LYS A 78 11.632 1.514 -15.125 1.00 97.94 N +ATOM 1207 H LYS A 78 12.482 1.512 -14.578 1.00 97.94 H +ATOM 1208 CA LYS A 78 11.679 0.972 -16.486 1.00 97.94 C +ATOM 1209 HA LYS A 78 10.668 0.680 -16.771 1.00 97.94 H +ATOM 1210 C LYS A 78 12.548 -0.281 -16.527 1.00 97.94 C +ATOM 1211 CB LYS A 78 12.150 2.065 -17.459 1.00 97.94 C +ATOM 1212 HB2 LYS A 78 13.185 2.324 -17.237 1.00 97.94 H +ATOM 1213 HB3 LYS A 78 11.534 2.951 -17.308 1.00 97.94 H +ATOM 1214 O LYS A 78 13.763 -0.190 -16.386 1.00 97.94 O +ATOM 1215 CG LYS A 78 12.028 1.627 -18.926 1.00 97.94 C +ATOM 1216 HG2 LYS A 78 12.650 0.749 -19.101 1.00 97.94 H +ATOM 1217 HG3 LYS A 78 10.989 1.377 -19.140 1.00 97.94 H +ATOM 1218 CD LYS A 78 12.472 2.758 -19.863 1.00 97.94 C +ATOM 1219 HD2 LYS A 78 13.508 3.017 -19.647 1.00 97.94 H +ATOM 1220 HD3 LYS A 78 11.840 3.631 -19.700 1.00 97.94 H +ATOM 1221 CE LYS A 78 12.343 2.283 -21.310 1.00 97.94 C +ATOM 1222 HE2 LYS A 78 11.301 2.019 -21.489 1.00 97.94 H +ATOM 1223 HE3 LYS A 78 12.951 1.384 -21.413 1.00 97.94 H +ATOM 1224 NZ LYS A 78 12.780 3.297 -22.297 1.00 97.94 N +ATOM 1225 HZ1 LYS A 78 12.663 2.938 -23.234 1.00 97.94 H +ATOM 1226 HZ2 LYS A 78 12.228 4.137 -22.205 1.00 97.94 H +ATOM 1227 HZ3 LYS A 78 13.753 3.531 -22.157 1.00 97.94 H +ATOM 1228 N VAL A 79 11.920 -1.425 -16.783 1.00 98.06 N +ATOM 1229 H VAL A 79 10.933 -1.382 -16.996 1.00 98.06 H +ATOM 1230 CA VAL A 79 12.566 -2.744 -16.869 1.00 98.06 C +ATOM 1231 HA VAL A 79 13.622 -2.652 -16.617 1.00 98.06 H +ATOM 1232 C VAL A 79 12.448 -3.243 -18.304 1.00 98.06 C +ATOM 1233 CB VAL A 79 11.934 -3.744 -15.881 1.00 98.06 C +ATOM 1234 HB VAL A 79 10.893 -3.913 -16.158 1.00 98.06 H +ATOM 1235 O VAL A 79 11.359 -3.210 -18.875 1.00 98.06 O +ATOM 1236 CG1 VAL A 79 12.668 -5.090 -15.896 1.00 98.06 C +ATOM 1237 HG11 VAL A 79 12.569 -5.564 -16.873 1.00 98.06 H +ATOM 1238 HG12 VAL A 79 12.235 -5.762 -15.156 1.00 98.06 H +ATOM 1239 HG13 VAL A 79 13.726 -4.954 -15.671 1.00 98.06 H +ATOM 1240 CG2 VAL A 79 11.973 -3.223 -14.441 1.00 98.06 C +ATOM 1241 HG21 VAL A 79 13.010 -3.061 -14.148 1.00 98.06 H +ATOM 1242 HG22 VAL A 79 11.524 -3.958 -13.773 1.00 98.06 H +ATOM 1243 HG23 VAL A 79 11.421 -2.287 -14.348 1.00 98.06 H +ATOM 1244 N ASP A 80 13.566 -3.655 -18.906 1.00 96.94 N +ATOM 1245 H ASP A 80 14.396 -3.780 -18.344 1.00 96.94 H +ATOM 1246 CA ASP A 80 13.627 -4.196 -20.275 1.00 96.94 C +ATOM 1247 HA ASP A 80 14.673 -4.172 -20.580 1.00 96.94 H +ATOM 1248 C ASP A 80 12.869 -3.344 -21.306 1.00 96.94 C +ATOM 1249 CB ASP A 80 13.212 -5.672 -20.285 1.00 96.94 C +ATOM 1250 HB2 ASP A 80 13.355 -6.080 -21.286 1.00 96.94 H +ATOM 1251 HB3 ASP A 80 12.155 -5.752 -20.030 1.00 96.94 H +ATOM 1252 O ASP A 80 12.066 -3.824 -22.104 1.00 96.94 O +ATOM 1253 CG ASP A 80 14.040 -6.494 -19.303 1.00 96.94 C +ATOM 1254 OD1 ASP A 80 15.254 -6.231 -19.185 1.00 96.94 O +ATOM 1255 OD2 ASP A 80 13.432 -7.345 -18.615 1.00 96.94 O +ATOM 1256 N GLY A 81 13.068 -2.025 -21.249 1.00 96.44 N +ATOM 1257 H GLY A 81 13.707 -1.682 -20.545 1.00 96.44 H +ATOM 1258 CA GLY A 81 12.439 -1.102 -22.193 1.00 96.44 C +ATOM 1259 HA2 GLY A 81 12.407 -1.584 -23.170 1.00 96.44 H +ATOM 1260 HA3 GLY A 81 13.066 -0.217 -22.300 1.00 96.44 H +ATOM 1261 C GLY A 81 11.000 -0.694 -21.851 1.00 96.44 C +ATOM 1262 O GLY A 81 10.489 0.232 -22.485 1.00 96.44 O +ATOM 1263 N ARG A 82 10.360 -1.294 -20.840 1.00 97.81 N +ATOM 1264 H ARG A 82 10.836 -2.035 -20.347 1.00 97.81 H +ATOM 1265 CA ARG A 82 8.949 -1.059 -20.497 1.00 97.81 C +ATOM 1266 HA ARG A 82 8.514 -0.398 -21.248 1.00 97.81 H +ATOM 1267 C ARG A 82 8.789 -0.383 -19.137 1.00 97.81 C +ATOM 1268 CB ARG A 82 8.215 -2.404 -20.575 1.00 97.81 C +ATOM 1269 HB2 ARG A 82 8.555 -3.057 -19.772 1.00 97.81 H +ATOM 1270 HB3 ARG A 82 8.459 -2.875 -21.527 1.00 97.81 H +ATOM 1271 O ARG A 82 9.444 -0.759 -18.173 1.00 97.81 O +ATOM 1272 CG ARG A 82 6.696 -2.231 -20.487 1.00 97.81 C +ATOM 1273 HG2 ARG A 82 6.374 -1.466 -21.193 1.00 97.81 H +ATOM 1274 HG3 ARG A 82 6.420 -1.930 -19.477 1.00 97.81 H +ATOM 1275 CD ARG A 82 6.000 -3.547 -20.830 1.00 97.81 C +ATOM 1276 HD2 ARG A 82 6.321 -4.310 -20.121 1.00 97.81 H +ATOM 1277 HD3 ARG A 82 6.297 -3.851 -21.834 1.00 97.81 H +ATOM 1278 NE ARG A 82 4.537 -3.391 -20.769 1.00 97.81 N +ATOM 1279 HE ARG A 82 4.202 -2.565 -20.295 1.00 97.81 H +ATOM 1280 NH1 ARG A 82 4.002 -5.458 -21.590 1.00 97.81 N +ATOM 1281 HH11 ARG A 82 3.314 -6.160 -21.825 1.00 97.81 H +ATOM 1282 HH12 ARG A 82 4.957 -5.734 -21.413 1.00 97.81 H +ATOM 1283 NH2 ARG A 82 2.377 -3.988 -21.150 1.00 97.81 N +ATOM 1284 HH21 ARG A 82 1.699 -4.664 -21.470 1.00 97.81 H +ATOM 1285 HH22 ARG A 82 2.084 -3.078 -20.824 1.00 97.81 H +ATOM 1286 CZ ARG A 82 3.649 -4.276 -21.171 1.00 97.81 C +ATOM 1287 N VAL A 83 7.913 0.622 -19.062 1.00 97.75 N +ATOM 1288 H VAL A 83 7.376 0.861 -19.884 1.00 97.75 H +ATOM 1289 CA VAL A 83 7.539 1.253 -17.785 1.00 97.75 C +ATOM 1290 HA VAL A 83 8.452 1.466 -17.229 1.00 97.75 H +ATOM 1291 C VAL A 83 6.703 0.268 -16.975 1.00 97.75 C +ATOM 1292 CB VAL A 83 6.787 2.583 -17.978 1.00 97.75 C +ATOM 1293 HB VAL A 83 5.883 2.405 -18.560 1.00 97.75 H +ATOM 1294 O VAL A 83 5.731 -0.284 -17.495 1.00 97.75 O +ATOM 1295 CG1 VAL A 83 6.394 3.221 -16.638 1.00 97.75 C +ATOM 1296 HG11 VAL A 83 5.919 4.187 -16.809 1.00 97.75 H +ATOM 1297 HG12 VAL A 83 7.276 3.361 -16.014 1.00 97.75 H +ATOM 1298 HG13 VAL A 83 5.683 2.587 -16.107 1.00 97.75 H +ATOM 1299 CG2 VAL A 83 7.663 3.591 -18.735 1.00 97.75 C +ATOM 1300 HG21 VAL A 83 7.124 4.531 -18.848 1.00 97.75 H +ATOM 1301 HG22 VAL A 83 8.582 3.773 -18.178 1.00 97.75 H +ATOM 1302 HG23 VAL A 83 7.907 3.213 -19.728 1.00 97.75 H +ATOM 1303 N VAL A 84 7.087 0.058 -15.720 1.00 98.00 N +ATOM 1304 H VAL A 84 7.856 0.603 -15.359 1.00 98.00 H +ATOM 1305 CA VAL A 84 6.429 -0.879 -14.801 1.00 98.00 C +ATOM 1306 HA VAL A 84 5.693 -1.460 -15.357 1.00 98.00 H +ATOM 1307 C VAL A 84 5.656 -0.120 -13.724 1.00 98.00 C +ATOM 1308 CB VAL A 84 7.428 -1.897 -14.213 1.00 98.00 C +ATOM 1309 HB VAL A 84 6.880 -2.616 -13.605 1.00 98.00 H +ATOM 1310 O VAL A 84 5.912 1.058 -13.473 1.00 98.00 O +ATOM 1311 CG1 VAL A 84 8.151 -2.665 -15.321 1.00 98.00 C +ATOM 1312 HG11 VAL A 84 8.670 -1.984 -15.996 1.00 98.00 H +ATOM 1313 HG12 VAL A 84 7.433 -3.256 -15.888 1.00 98.00 H +ATOM 1314 HG13 VAL A 84 8.905 -3.309 -14.868 1.00 98.00 H +ATOM 1315 CG2 VAL A 84 8.499 -1.270 -13.323 1.00 98.00 C +ATOM 1316 HG21 VAL A 84 9.113 -0.585 -13.908 1.00 98.00 H +ATOM 1317 HG22 VAL A 84 9.139 -2.048 -12.905 1.00 98.00 H +ATOM 1318 HG23 VAL A 84 8.024 -0.739 -12.498 1.00 98.00 H +ATOM 1319 N GLU A 85 4.711 -0.797 -13.073 1.00 97.06 N +ATOM 1320 H GLU A 85 4.565 -1.762 -13.333 1.00 97.06 H +ATOM 1321 CA GLU A 85 3.867 -0.246 -12.007 1.00 97.06 C +ATOM 1322 HA GLU A 85 4.115 0.803 -11.848 1.00 97.06 H +ATOM 1323 C GLU A 85 4.132 -0.999 -10.687 1.00 97.06 C +ATOM 1324 CB GLU A 85 2.387 -0.296 -12.449 1.00 97.06 C +ATOM 1325 HB2 GLU A 85 2.306 0.079 -13.469 1.00 97.06 H +ATOM 1326 HB3 GLU A 85 2.052 -1.333 -12.446 1.00 97.06 H +ATOM 1327 O GLU A 85 3.469 -2.007 -10.405 1.00 97.06 O +ATOM 1328 CG GLU A 85 1.473 0.566 -11.552 1.00 97.06 C +ATOM 1329 HG2 GLU A 85 1.696 0.341 -10.509 1.00 97.06 H +ATOM 1330 HG3 GLU A 85 1.713 1.615 -11.722 1.00 97.06 H +ATOM 1331 CD GLU A 85 -0.038 0.341 -11.775 1.00 97.06 C +ATOM 1332 OE1 GLU A 85 -0.855 1.065 -11.158 1.00 97.06 O +ATOM 1333 OE2 GLU A 85 -0.441 -0.697 -12.348 1.00 97.06 O +ATOM 1334 N PRO A 86 5.121 -0.563 -9.882 1.00 97.81 N +ATOM 1335 CA PRO A 86 5.353 -1.116 -8.553 1.00 97.81 C +ATOM 1336 HA PRO A 86 5.412 -2.201 -8.636 1.00 97.81 H +ATOM 1337 C PRO A 86 4.244 -0.719 -7.581 1.00 97.81 C +ATOM 1338 CB PRO A 86 6.707 -0.586 -8.078 1.00 97.81 C +ATOM 1339 HB2 PRO A 86 7.284 -1.349 -7.555 1.00 97.81 H +ATOM 1340 HB3 PRO A 86 6.574 0.288 -7.442 1.00 97.81 H +ATOM 1341 O PRO A 86 3.793 0.429 -7.564 1.00 97.81 O +ATOM 1342 CG PRO A 86 7.375 -0.155 -9.372 1.00 97.81 C +ATOM 1343 HG2 PRO A 86 8.117 0.619 -9.171 1.00 97.81 H +ATOM 1344 HG3 PRO A 86 7.829 -1.015 -9.865 1.00 97.81 H +ATOM 1345 CD PRO A 86 6.201 0.355 -10.199 1.00 97.81 C +ATOM 1346 HD2 PRO A 86 5.927 1.364 -9.891 1.00 97.81 H +ATOM 1347 HD3 PRO A 86 6.471 0.334 -11.255 1.00 97.81 H +ATOM 1348 N LYS A 87 3.830 -1.669 -6.747 1.00 97.50 N +ATOM 1349 H LYS A 87 4.239 -2.586 -6.859 1.00 97.50 H +ATOM 1350 CA LYS A 87 2.889 -1.486 -5.634 1.00 97.50 C +ATOM 1351 HA LYS A 87 2.875 -0.441 -5.326 1.00 97.50 H +ATOM 1352 C LYS A 87 3.356 -2.321 -4.464 1.00 97.50 C +ATOM 1353 CB LYS A 87 1.469 -1.929 -6.018 1.00 97.50 C +ATOM 1354 HB2 LYS A 87 1.486 -2.987 -6.280 1.00 97.50 H +ATOM 1355 HB3 LYS A 87 0.804 -1.794 -5.165 1.00 97.50 H +ATOM 1356 O LYS A 87 4.004 -3.351 -4.663 1.00 97.50 O +ATOM 1357 CG LYS A 87 0.926 -1.123 -7.195 1.00 97.50 C +ATOM 1358 HG2 LYS A 87 0.845 -0.073 -6.915 1.00 97.50 H +ATOM 1359 HG3 LYS A 87 1.630 -1.211 -8.023 1.00 97.50 H +ATOM 1360 CD LYS A 87 -0.434 -1.630 -7.676 1.00 97.50 C +ATOM 1361 HD2 LYS A 87 -0.428 -2.718 -7.741 1.00 97.50 H +ATOM 1362 HD3 LYS A 87 -1.229 -1.284 -7.015 1.00 97.50 H +ATOM 1363 CE LYS A 87 -0.567 -1.026 -9.067 1.00 97.50 C +ATOM 1364 HE2 LYS A 87 -0.618 0.060 -8.984 1.00 97.50 H +ATOM 1365 HE3 LYS A 87 0.345 -1.253 -9.620 1.00 97.50 H +ATOM 1366 NZ LYS A 87 -1.713 -1.522 -9.854 1.00 97.50 N +ATOM 1367 HZ1 LYS A 87 -1.811 -2.527 -9.823 1.00 97.50 H +ATOM 1368 HZ2 LYS A 87 -2.547 -1.041 -9.549 1.00 97.50 H +ATOM 1369 HZ3 LYS A 87 -1.555 -1.218 -10.804 1.00 97.50 H +ATOM 1370 N ARG A 88 2.957 -1.962 -3.248 1.00 97.06 N +ATOM 1371 H ARG A 88 2.372 -1.146 -3.141 1.00 97.06 H +ATOM 1372 CA ARG A 88 3.161 -2.873 -2.118 1.00 97.06 C +ATOM 1373 HA ARG A 88 4.215 -3.148 -2.075 1.00 97.06 H +ATOM 1374 C ARG A 88 2.376 -4.150 -2.358 1.00 97.06 C +ATOM 1375 CB ARG A 88 2.799 -2.226 -0.790 1.00 97.06 C +ATOM 1376 HB2 ARG A 88 1.731 -2.010 -0.769 1.00 97.06 H +ATOM 1377 HB3 ARG A 88 3.041 -2.929 0.007 1.00 97.06 H +ATOM 1378 O ARG A 88 1.229 -4.113 -2.812 1.00 97.06 O +ATOM 1379 CG ARG A 88 3.607 -0.951 -0.583 1.00 97.06 C +ATOM 1380 HG2 ARG A 88 4.664 -1.184 -0.702 1.00 97.06 H +ATOM 1381 HG3 ARG A 88 3.328 -0.201 -1.323 1.00 97.06 H +ATOM 1382 CD ARG A 88 3.379 -0.371 0.806 1.00 97.06 C +ATOM 1383 HD2 ARG A 88 2.367 0.029 0.872 1.00 97.06 H +ATOM 1384 HD3 ARG A 88 3.516 -1.143 1.563 1.00 97.06 H +ATOM 1385 NE ARG A 88 4.346 0.706 0.967 1.00 97.06 N +ATOM 1386 HE ARG A 88 4.260 1.450 0.290 1.00 97.06 H +ATOM 1387 NH1 ARG A 88 5.732 -0.146 2.621 1.00 97.06 N +ATOM 1388 HH11 ARG A 88 6.639 -0.087 3.061 1.00 97.06 H +ATOM 1389 HH12 ARG A 88 5.079 -0.879 2.858 1.00 97.06 H +ATOM 1390 NH2 ARG A 88 6.336 1.588 1.356 1.00 97.06 N +ATOM 1391 HH21 ARG A 88 7.126 1.831 1.937 1.00 97.06 H +ATOM 1392 HH22 ARG A 88 6.150 2.217 0.588 1.00 97.06 H +ATOM 1393 CZ ARG A 88 5.459 0.699 1.665 1.00 97.06 C +ATOM 1394 N ALA A 89 3.011 -5.291 -2.119 1.00 96.38 N +ATOM 1395 H ALA A 89 3.932 -5.276 -1.704 1.00 96.38 H +ATOM 1396 CA ALA A 89 2.351 -6.563 -2.329 1.00 96.38 C +ATOM 1397 HA ALA A 89 1.990 -6.590 -3.357 1.00 96.38 H +ATOM 1398 C ALA A 89 1.142 -6.665 -1.393 1.00 96.38 C +ATOM 1399 CB ALA A 89 3.348 -7.706 -2.143 1.00 96.38 C +ATOM 1400 HB1 ALA A 89 4.172 -7.581 -2.845 1.00 96.38 H +ATOM 1401 HB2 ALA A 89 3.733 -7.691 -1.123 1.00 96.38 H +ATOM 1402 HB3 ALA A 89 2.859 -8.662 -2.328 1.00 96.38 H +ATOM 1403 O ALA A 89 1.185 -6.240 -0.240 1.00 96.38 O +ATOM 1404 N VAL A 90 0.063 -7.260 -1.892 1.00 94.00 N +ATOM 1405 H VAL A 90 0.093 -7.591 -2.845 1.00 94.00 H +ATOM 1406 CA VAL A 90 -1.097 -7.625 -1.076 1.00 94.00 C +ATOM 1407 HA VAL A 90 -1.131 -6.987 -0.193 1.00 94.00 H +ATOM 1408 C VAL A 90 -0.908 -9.070 -0.623 1.00 94.00 C +ATOM 1409 CB VAL A 90 -2.409 -7.420 -1.852 1.00 94.00 C +ATOM 1410 HB VAL A 90 -2.431 -8.095 -2.707 1.00 94.00 H +ATOM 1411 O VAL A 90 -0.496 -9.916 -1.420 1.00 94.00 O +ATOM 1412 CG1 VAL A 90 -3.624 -7.705 -0.967 1.00 94.00 C +ATOM 1413 HG11 VAL A 90 -3.572 -8.712 -0.553 1.00 94.00 H +ATOM 1414 HG12 VAL A 90 -4.527 -7.646 -1.575 1.00 94.00 H +ATOM 1415 HG13 VAL A 90 -3.680 -6.984 -0.152 1.00 94.00 H +ATOM 1416 CG2 VAL A 90 -2.547 -5.978 -2.361 1.00 94.00 C +ATOM 1417 HG21 VAL A 90 -3.507 -5.853 -2.861 1.00 94.00 H +ATOM 1418 HG22 VAL A 90 -2.482 -5.278 -1.528 1.00 94.00 H +ATOM 1419 HG23 VAL A 90 -1.755 -5.746 -3.073 1.00 94.00 H +ATOM 1420 N SER A 91 -1.193 -9.360 0.648 1.00 92.56 N +ATOM 1421 H SER A 91 -1.523 -8.626 1.259 1.00 92.56 H +ATOM 1422 CA SER A 91 -1.142 -10.729 1.176 1.00 92.56 C +ATOM 1423 HA SER A 91 -0.137 -11.121 1.019 1.00 92.56 H +ATOM 1424 C SER A 91 -2.119 -11.638 0.428 1.00 92.56 C +ATOM 1425 CB SER A 91 -1.428 -10.746 2.682 1.00 92.56 C +ATOM 1426 HB2 SER A 91 -1.141 -11.713 3.094 1.00 92.56 H +ATOM 1427 HB3 SER A 91 -0.852 -9.966 3.180 1.00 92.56 H +ATOM 1428 O SER A 91 -3.090 -11.174 -0.180 1.00 92.56 O +ATOM 1429 OG SER A 91 -2.812 -10.545 2.892 1.00 92.56 O +ATOM 1430 HG SER A 91 -2.975 -9.828 3.509 1.00 92.56 H +ATOM 1431 N ARG A 92 -1.898 -12.955 0.459 1.00 90.62 N +ATOM 1432 H ARG A 92 -1.185 -13.304 1.083 1.00 90.62 H +ATOM 1433 CA ARG A 92 -2.806 -13.899 -0.216 1.00 90.62 C +ATOM 1434 HA ARG A 92 -2.925 -13.600 -1.257 1.00 90.62 H +ATOM 1435 C ARG A 92 -4.209 -13.861 0.390 1.00 90.62 C +ATOM 1436 CB ARG A 92 -2.237 -15.320 -0.153 1.00 90.62 C +ATOM 1437 HB2 ARG A 92 -2.997 -16.011 -0.520 1.00 90.62 H +ATOM 1438 HB3 ARG A 92 -2.013 -15.577 0.882 1.00 90.62 H +ATOM 1439 O ARG A 92 -5.187 -13.998 -0.344 1.00 90.62 O +ATOM 1440 CG ARG A 92 -0.978 -15.476 -1.015 1.00 90.62 C +ATOM 1441 HG2 ARG A 92 -0.182 -14.844 -0.622 1.00 90.62 H +ATOM 1442 HG3 ARG A 92 -1.201 -15.180 -2.040 1.00 90.62 H +ATOM 1443 CD ARG A 92 -0.527 -16.938 -0.993 1.00 90.62 C +ATOM 1444 HD2 ARG A 92 -0.313 -17.218 0.039 1.00 90.62 H +ATOM 1445 HD3 ARG A 92 -1.341 -17.561 -1.363 1.00 90.62 H +ATOM 1446 NE ARG A 92 0.676 -17.154 -1.820 1.00 90.62 N +ATOM 1447 HE ARG A 92 1.113 -16.330 -2.208 1.00 90.62 H +ATOM 1448 NH1 ARG A 92 0.809 -19.424 -1.518 1.00 90.62 N +ATOM 1449 HH11 ARG A 92 1.309 -20.294 -1.629 1.00 90.62 H +ATOM 1450 HH12 ARG A 92 0.011 -19.373 -0.901 1.00 90.62 H +ATOM 1451 NH2 ARG A 92 2.360 -18.387 -2.741 1.00 90.62 N +ATOM 1452 HH21 ARG A 92 2.844 -19.268 -2.839 1.00 90.62 H +ATOM 1453 HH22 ARG A 92 2.796 -17.545 -3.090 1.00 90.62 H +ATOM 1454 CZ ARG A 92 1.273 -18.315 -2.025 1.00 90.62 C +ATOM 1455 N GLU A 93 -4.300 -13.644 1.698 1.00 90.56 N +ATOM 1456 H GLU A 93 -3.449 -13.560 2.236 1.00 90.56 H +ATOM 1457 CA GLU A 93 -5.555 -13.530 2.437 1.00 90.56 C +ATOM 1458 HA GLU A 93 -6.203 -14.369 2.183 1.00 90.56 H +ATOM 1459 C GLU A 93 -6.299 -12.241 2.068 1.00 90.56 C +ATOM 1460 CB GLU A 93 -5.290 -13.557 3.955 1.00 90.56 C +ATOM 1461 HB2 GLU A 93 -6.258 -13.492 4.452 1.00 90.56 H +ATOM 1462 HB3 GLU A 93 -4.723 -12.674 4.250 1.00 90.56 H +ATOM 1463 O GLU A 93 -7.497 -12.272 1.782 1.00 90.56 O +ATOM 1464 CG GLU A 93 -4.586 -14.823 4.484 1.00 90.56 C +ATOM 1465 HG2 GLU A 93 -5.084 -15.696 4.063 1.00 90.56 H +ATOM 1466 HG3 GLU A 93 -4.731 -14.854 5.564 1.00 90.56 H +ATOM 1467 CD GLU A 93 -3.073 -14.895 4.202 1.00 90.56 C +ATOM 1468 OE1 GLU A 93 -2.522 -16.008 4.317 1.00 90.56 O +ATOM 1469 OE2 GLU A 93 -2.483 -13.863 3.802 1.00 90.56 O +ATOM 1470 N ASP A 94 -5.595 -11.107 2.017 1.00 89.25 N +ATOM 1471 H ASP A 94 -4.610 -11.135 2.241 1.00 89.25 H +ATOM 1472 CA ASP A 94 -6.214 -9.810 1.730 1.00 89.25 C +ATOM 1473 HA ASP A 94 -7.184 -9.785 2.226 1.00 89.25 H +ATOM 1474 C ASP A 94 -6.494 -9.615 0.234 1.00 89.25 C +ATOM 1475 CB ASP A 94 -5.384 -8.661 2.322 1.00 89.25 C +ATOM 1476 HB2 ASP A 94 -4.397 -8.650 1.860 1.00 89.25 H +ATOM 1477 HB3 ASP A 94 -5.875 -7.717 2.088 1.00 89.25 H +ATOM 1478 O ASP A 94 -7.391 -8.852 -0.120 1.00 89.25 O +ATOM 1479 CG ASP A 94 -5.255 -8.771 3.848 1.00 89.25 C +ATOM 1480 OD1 ASP A 94 -6.290 -8.928 4.544 1.00 89.25 O +ATOM 1481 OD2 ASP A 94 -4.108 -8.743 4.354 1.00 89.25 O +ATOM 1482 N SER A 95 -5.822 -10.369 -0.642 1.00 90.06 N +ATOM 1483 H SER A 95 -5.070 -10.938 -0.281 1.00 90.06 H +ATOM 1484 CA SER A 95 -6.082 -10.386 -2.092 1.00 90.06 C +ATOM 1485 HA SER A 95 -5.953 -9.380 -2.491 1.00 90.06 H +ATOM 1486 C SER A 95 -7.508 -10.835 -2.439 1.00 90.06 C +ATOM 1487 CB SER A 95 -5.091 -11.314 -2.803 1.00 90.06 C +ATOM 1488 HB2 SER A 95 -5.366 -11.390 -3.855 1.00 90.06 H +ATOM 1489 HB3 SER A 95 -5.142 -12.310 -2.363 1.00 90.06 H +ATOM 1490 O SER A 95 -8.011 -10.514 -3.511 1.00 90.06 O +ATOM 1491 OG SER A 95 -3.767 -10.824 -2.714 1.00 90.06 O +ATOM 1492 HG SER A 95 -3.488 -10.866 -1.797 1.00 90.06 H +ATOM 1493 N GLN A 96 -8.193 -11.549 -1.535 1.00 89.38 N +ATOM 1494 H GLN A 96 -7.741 -11.771 -0.659 1.00 89.38 H +ATOM 1495 CA GLN A 96 -9.596 -11.944 -1.717 1.00 89.38 C +ATOM 1496 HA GLN A 96 -9.745 -12.241 -2.755 1.00 89.38 H +ATOM 1497 C GLN A 96 -10.584 -10.800 -1.449 1.00 89.38 C +ATOM 1498 CB GLN A 96 -9.926 -13.142 -0.811 1.00 89.38 C +ATOM 1499 HB2 GLN A 96 -9.814 -12.844 0.232 1.00 89.38 H +ATOM 1500 HB3 GLN A 96 -10.966 -13.429 -0.968 1.00 89.38 H +ATOM 1501 O GLN A 96 -11.774 -10.924 -1.752 1.00 89.38 O +ATOM 1502 CG GLN A 96 -9.040 -14.369 -1.069 1.00 89.38 C +ATOM 1503 HG2 GLN A 96 -8.010 -14.131 -0.802 1.00 89.38 H +ATOM 1504 HG3 GLN A 96 -9.365 -15.183 -0.422 1.00 89.38 H +ATOM 1505 CD GLN A 96 -9.092 -14.856 -2.515 1.00 89.38 C +ATOM 1506 NE2 GLN A 96 -7.985 -15.321 -3.050 1.00 89.38 N +ATOM 1507 HE21 GLN A 96 -7.124 -15.282 -2.524 1.00 89.38 H +ATOM 1508 HE22 GLN A 96 -8.039 -15.585 -4.023 1.00 89.38 H +ATOM 1509 OE1 GLN A 96 -10.111 -14.842 -3.186 1.00 89.38 O +ATOM 1510 N ARG A 97 -10.131 -9.686 -0.856 1.00 86.81 N +ATOM 1511 H ARG A 97 -9.138 -9.589 -0.700 1.00 86.81 H +ATOM 1512 CA ARG A 97 -11.001 -8.543 -0.571 1.00 86.81 C +ATOM 1513 HA ARG A 97 -11.921 -8.945 -0.147 1.00 86.81 H +ATOM 1514 C ARG A 97 -11.335 -7.800 -1.870 1.00 86.81 C +ATOM 1515 CB ARG A 97 -10.378 -7.597 0.464 1.00 86.81 C +ATOM 1516 HB2 ARG A 97 -11.039 -6.740 0.592 1.00 86.81 H +ATOM 1517 HB3 ARG A 97 -9.421 -7.230 0.092 1.00 86.81 H +ATOM 1518 O ARG A 97 -10.452 -7.600 -2.708 1.00 86.81 O +ATOM 1519 CG ARG A 97 -10.175 -8.270 1.829 1.00 86.81 C +ATOM 1520 HG2 ARG A 97 -11.133 -8.625 2.209 1.00 86.81 H +ATOM 1521 HG3 ARG A 97 -9.497 -9.117 1.726 1.00 86.81 H +ATOM 1522 CD ARG A 97 -9.575 -7.262 2.813 1.00 86.81 C +ATOM 1523 HD2 ARG A 97 -8.643 -6.880 2.396 1.00 86.81 H +ATOM 1524 HD3 ARG A 97 -10.273 -6.434 2.936 1.00 86.81 H +ATOM 1525 NE ARG A 97 -9.288 -7.877 4.120 1.00 86.81 N +ATOM 1526 HE ARG A 97 -9.039 -8.856 4.119 1.00 86.81 H +ATOM 1527 NH1 ARG A 97 -9.099 -5.940 5.350 1.00 86.81 N +ATOM 1528 HH11 ARG A 97 -9.128 -5.392 4.502 1.00 86.81 H +ATOM 1529 HH12 ARG A 97 -8.922 -5.477 6.230 1.00 86.81 H +ATOM 1530 NH2 ARG A 97 -8.872 -7.916 6.351 1.00 86.81 N +ATOM 1531 HH21 ARG A 97 -8.627 -8.892 6.260 1.00 86.81 H +ATOM 1532 HH22 ARG A 97 -8.712 -7.423 7.218 1.00 86.81 H +ATOM 1533 CZ ARG A 97 -9.090 -7.242 5.261 1.00 86.81 C +ATOM 1534 N PRO A 98 -12.585 -7.331 -2.039 1.00 87.19 N +ATOM 1535 CA PRO A 98 -12.956 -6.557 -3.213 1.00 87.19 C +ATOM 1536 HA PRO A 98 -12.892 -7.209 -4.084 1.00 87.19 H +ATOM 1537 C PRO A 98 -12.050 -5.341 -3.410 1.00 87.19 C +ATOM 1538 CB PRO A 98 -14.411 -6.151 -3.003 1.00 87.19 C +ATOM 1539 HB2 PRO A 98 -14.934 -6.109 -3.959 1.00 87.19 H +ATOM 1540 HB3 PRO A 98 -14.474 -5.195 -2.484 1.00 87.19 H +ATOM 1541 O PRO A 98 -11.857 -4.540 -2.497 1.00 87.19 O +ATOM 1542 CG PRO A 98 -14.954 -7.248 -2.091 1.00 87.19 C +ATOM 1543 HG2 PRO A 98 -15.219 -8.121 -2.687 1.00 87.19 H +ATOM 1544 HG3 PRO A 98 -15.809 -6.906 -1.507 1.00 87.19 H +ATOM 1545 CD PRO A 98 -13.754 -7.576 -1.206 1.00 87.19 C +ATOM 1546 HD2 PRO A 98 -13.733 -6.911 -0.343 1.00 87.19 H +ATOM 1547 HD3 PRO A 98 -13.819 -8.617 -0.891 1.00 87.19 H +ATOM 1548 N GLY A 99 -11.489 -5.233 -4.613 1.00 87.81 N +ATOM 1549 H GLY A 99 -11.687 -5.953 -5.293 1.00 87.81 H +ATOM 1550 CA GLY A 99 -10.615 -4.139 -5.020 1.00 87.81 C +ATOM 1551 HA2 GLY A 99 -10.434 -4.249 -6.089 1.00 87.81 H +ATOM 1552 HA3 GLY A 99 -11.122 -3.186 -4.868 1.00 87.81 H +ATOM 1553 C GLY A 99 -9.253 -4.071 -4.325 1.00 87.81 C +ATOM 1554 O GLY A 99 -8.584 -3.046 -4.433 1.00 87.81 O +ATOM 1555 N ALA A 100 -8.795 -5.142 -3.665 1.00 90.19 N +ATOM 1556 H ALA A 100 -9.396 -5.945 -3.549 1.00 90.19 H +ATOM 1557 CA ALA A 100 -7.478 -5.178 -3.020 1.00 90.19 C +ATOM 1558 HA ALA A 100 -7.472 -4.460 -2.199 1.00 90.19 H +ATOM 1559 C ALA A 100 -6.322 -4.809 -3.977 1.00 90.19 C +ATOM 1560 CB ALA A 100 -7.285 -6.581 -2.440 1.00 90.19 C +ATOM 1561 HB1 ALA A 100 -6.383 -6.591 -1.828 1.00 90.19 H +ATOM 1562 HB2 ALA A 100 -8.128 -6.842 -1.801 1.00 90.19 H +ATOM 1563 HB3 ALA A 100 -7.197 -7.320 -3.236 1.00 90.19 H +ATOM 1564 O ALA A 100 -5.375 -4.122 -3.593 1.00 90.19 O +ATOM 1565 N HIS A 101 -6.438 -5.205 -5.248 1.00 91.50 N +ATOM 1566 H HIS A 101 -7.231 -5.785 -5.480 1.00 91.50 H +ATOM 1567 CA HIS A 101 -5.435 -4.966 -6.290 1.00 91.50 C +ATOM 1568 HA HIS A 101 -4.451 -4.942 -5.822 1.00 91.50 H +ATOM 1569 C HIS A 101 -5.586 -3.630 -7.040 1.00 91.50 C +ATOM 1570 CB HIS A 101 -5.457 -6.148 -7.268 1.00 91.50 C +ATOM 1571 HB2 HIS A 101 -4.698 -5.993 -8.034 1.00 91.50 H +ATOM 1572 HB3 HIS A 101 -6.428 -6.188 -7.762 1.00 91.50 H +ATOM 1573 O HIS A 101 -4.763 -3.332 -7.905 1.00 91.50 O +ATOM 1574 CG HIS A 101 -5.183 -7.471 -6.602 1.00 91.50 C +ATOM 1575 CD2 HIS A 101 -6.056 -8.517 -6.463 1.00 91.50 C +ATOM 1576 HD2 HIS A 101 -7.074 -8.553 -6.821 1.00 91.50 H +ATOM 1577 ND1 HIS A 101 -4.004 -7.842 -5.995 1.00 91.50 N +ATOM 1578 HD1 HIS A 101 -3.170 -7.279 -5.910 1.00 91.50 H +ATOM 1579 CE1 HIS A 101 -4.163 -9.080 -5.501 1.00 91.50 C +ATOM 1580 HE1 HIS A 101 -3.415 -9.632 -4.950 1.00 91.50 H +ATOM 1581 NE2 HIS A 101 -5.394 -9.535 -5.775 1.00 91.50 N +ATOM 1582 N LEU A 102 -6.617 -2.828 -6.746 1.00 92.81 N +ATOM 1583 H LEU A 102 -7.219 -3.054 -5.968 1.00 92.81 H +ATOM 1584 CA LEU A 102 -6.833 -1.552 -7.435 1.00 92.81 C +ATOM 1585 HA LEU A 102 -6.740 -1.716 -8.509 1.00 92.81 H +ATOM 1586 C LEU A 102 -5.766 -0.527 -7.038 1.00 92.81 C +ATOM 1587 CB LEU A 102 -8.240 -1.003 -7.142 1.00 92.81 C +ATOM 1588 HB2 LEU A 102 -8.333 -0.021 -7.606 1.00 92.81 H +ATOM 1589 HB3 LEU A 102 -8.340 -0.870 -6.065 1.00 92.81 H +ATOM 1590 O LEU A 102 -5.378 -0.447 -5.870 1.00 92.81 O +ATOM 1591 CG LEU A 102 -9.396 -1.877 -7.653 1.00 92.81 C +ATOM 1592 HG LEU A 102 -9.275 -2.890 -7.268 1.00 92.81 H +ATOM 1593 CD1 LEU A 102 -10.714 -1.312 -7.136 1.00 92.81 C +ATOM 1594 HD11 LEU A 102 -11.545 -1.947 -7.443 1.00 92.81 H +ATOM 1595 HD12 LEU A 102 -10.682 -1.237 -6.049 1.00 92.81 H +ATOM 1596 HD13 LEU A 102 -10.878 -0.317 -7.550 1.00 92.81 H +ATOM 1597 CD2 LEU A 102 -9.456 -1.950 -9.178 1.00 92.81 C +ATOM 1598 HD21 LEU A 102 -8.563 -2.430 -9.578 1.00 92.81 H +ATOM 1599 HD22 LEU A 102 -9.551 -0.945 -9.591 1.00 92.81 H +ATOM 1600 HD23 LEU A 102 -10.331 -2.523 -9.483 1.00 92.81 H +ATOM 1601 N THR A 103 -5.327 0.285 -7.998 1.00 94.50 N +ATOM 1602 H THR A 103 -5.663 0.164 -8.942 1.00 94.50 H +ATOM 1603 CA THR A 103 -4.527 1.487 -7.722 1.00 94.50 C +ATOM 1604 HA THR A 103 -3.887 1.314 -6.857 1.00 94.50 H +ATOM 1605 C THR A 103 -5.486 2.623 -7.421 1.00 94.50 C +ATOM 1606 CB THR A 103 -3.631 1.898 -8.901 1.00 94.50 C +ATOM 1607 HB THR A 103 -4.227 2.332 -9.704 1.00 94.50 H +ATOM 1608 O THR A 103 -6.123 3.154 -8.329 1.00 94.50 O +ATOM 1609 CG2 THR A 103 -2.559 2.889 -8.463 1.00 94.50 C +ATOM 1610 HG21 THR A 103 -3.021 3.801 -8.084 1.00 94.50 H +ATOM 1611 HG22 THR A 103 -1.928 3.148 -9.314 1.00 94.50 H +ATOM 1612 HG23 THR A 103 -1.935 2.447 -7.686 1.00 94.50 H +ATOM 1613 OG1 THR A 103 -2.958 0.788 -9.411 1.00 94.50 O +ATOM 1614 HG1 THR A 103 -2.307 1.115 -10.036 1.00 94.50 H +ATOM 1615 N VAL A 104 -5.618 2.990 -6.150 1.00 95.88 N +ATOM 1616 H VAL A 104 -5.048 2.549 -5.443 1.00 95.88 H +ATOM 1617 CA VAL A 104 -6.457 4.119 -5.742 1.00 95.88 C +ATOM 1618 HA VAL A 104 -6.712 4.704 -6.625 1.00 95.88 H +ATOM 1619 C VAL A 104 -5.669 5.035 -4.825 1.00 95.88 C +ATOM 1620 CB VAL A 104 -7.791 3.685 -5.101 1.00 95.88 C +ATOM 1621 HB VAL A 104 -8.356 4.589 -4.873 1.00 95.88 H +ATOM 1622 O VAL A 104 -4.854 4.580 -4.032 1.00 95.88 O +ATOM 1623 CG1 VAL A 104 -8.639 2.839 -6.056 1.00 95.88 C +ATOM 1624 HG11 VAL A 104 -8.764 3.362 -7.004 1.00 95.88 H +ATOM 1625 HG12 VAL A 104 -9.623 2.665 -5.622 1.00 95.88 H +ATOM 1626 HG13 VAL A 104 -8.155 1.880 -6.240 1.00 95.88 H +ATOM 1627 CG2 VAL A 104 -7.618 2.906 -3.798 1.00 95.88 C +ATOM 1628 HG21 VAL A 104 -8.604 2.680 -3.392 1.00 95.88 H +ATOM 1629 HG22 VAL A 104 -7.090 3.523 -3.071 1.00 95.88 H +ATOM 1630 HG23 VAL A 104 -7.059 1.987 -3.975 1.00 95.88 H +ATOM 1631 N LYS A 105 -5.949 6.333 -4.921 1.00 97.19 N +ATOM 1632 H LYS A 105 -6.569 6.633 -5.660 1.00 97.19 H +ATOM 1633 CA LYS A 105 -5.414 7.358 -4.018 1.00 97.19 C +ATOM 1634 HA LYS A 105 -4.478 7.019 -3.575 1.00 97.19 H +ATOM 1635 C LYS A 105 -6.346 7.665 -2.844 1.00 97.19 C +ATOM 1636 CB LYS A 105 -5.121 8.626 -4.818 1.00 97.19 C +ATOM 1637 HB2 LYS A 105 -4.779 9.379 -4.108 1.00 97.19 H +ATOM 1638 HB3 LYS A 105 -6.034 8.992 -5.287 1.00 97.19 H +ATOM 1639 O LYS A 105 -6.034 8.488 -1.997 1.00 97.19 O +ATOM 1640 CG LYS A 105 -4.028 8.436 -5.877 1.00 97.19 C +ATOM 1641 HG2 LYS A 105 -3.142 8.002 -5.414 1.00 97.19 H +ATOM 1642 HG3 LYS A 105 -4.383 7.778 -6.671 1.00 97.19 H +ATOM 1643 CD LYS A 105 -3.674 9.805 -6.461 1.00 97.19 C +ATOM 1644 HD2 LYS A 105 -4.563 10.265 -6.893 1.00 97.19 H +ATOM 1645 HD3 LYS A 105 -3.323 10.441 -5.648 1.00 97.19 H +ATOM 1646 CE LYS A 105 -2.580 9.703 -7.524 1.00 97.19 C +ATOM 1647 HE2 LYS A 105 -2.981 9.220 -8.414 1.00 97.19 H +ATOM 1648 HE3 LYS A 105 -1.768 9.094 -7.125 1.00 97.19 H +ATOM 1649 NZ LYS A 105 -2.062 11.054 -7.836 1.00 97.19 N +ATOM 1650 HZ1 LYS A 105 -1.349 11.042 -8.551 1.00 97.19 H +ATOM 1651 HZ2 LYS A 105 -1.617 11.410 -7.001 1.00 97.19 H +ATOM 1652 HZ3 LYS A 105 -2.799 11.709 -8.053 1.00 97.19 H +ATOM 1653 N LYS A 106 -7.511 7.016 -2.796 1.00 97.25 N +ATOM 1654 H LYS A 106 -7.663 6.287 -3.479 1.00 97.25 H +ATOM 1655 CA LYS A 106 -8.561 7.266 -1.810 1.00 97.25 C +ATOM 1656 HA LYS A 106 -8.228 8.067 -1.150 1.00 97.25 H +ATOM 1657 C LYS A 106 -8.783 6.034 -0.940 1.00 97.25 C +ATOM 1658 CB LYS A 106 -9.813 7.771 -2.546 1.00 97.25 C +ATOM 1659 HB2 LYS A 106 -9.503 8.586 -3.201 1.00 97.25 H +ATOM 1660 HB3 LYS A 106 -10.216 6.975 -3.172 1.00 97.25 H +ATOM 1661 O LYS A 106 -8.940 4.928 -1.460 1.00 97.25 O +ATOM 1662 CG LYS A 106 -10.910 8.310 -1.615 1.00 97.25 C +ATOM 1663 HG2 LYS A 106 -10.474 9.054 -0.948 1.00 97.25 H +ATOM 1664 HG3 LYS A 106 -11.324 7.503 -1.010 1.00 97.25 H +ATOM 1665 CD LYS A 106 -12.028 8.972 -2.443 1.00 97.25 C +ATOM 1666 HD2 LYS A 106 -12.531 8.225 -3.056 1.00 97.25 H +ATOM 1667 HD3 LYS A 106 -11.573 9.721 -3.090 1.00 97.25 H +ATOM 1668 CE LYS A 106 -13.034 9.665 -1.520 1.00 97.25 C +ATOM 1669 HE2 LYS A 106 -13.645 8.914 -1.019 1.00 97.25 H +ATOM 1670 HE3 LYS A 106 -12.460 10.203 -0.765 1.00 97.25 H +ATOM 1671 NZ LYS A 106 -13.894 10.655 -2.208 1.00 97.25 N +ATOM 1672 HZ1 LYS A 106 -14.327 11.285 -1.548 1.00 97.25 H +ATOM 1673 HZ2 LYS A 106 -14.607 10.248 -2.796 1.00 97.25 H +ATOM 1674 HZ3 LYS A 106 -13.333 11.311 -2.733 1.00 97.25 H +ATOM 1675 N ILE A 107 -8.842 6.230 0.373 1.00 97.12 N +ATOM 1676 H ILE A 107 -8.672 7.165 0.712 1.00 97.12 H +ATOM 1677 CA ILE A 107 -9.241 5.213 1.351 1.00 97.12 C +ATOM 1678 HA ILE A 107 -9.274 4.246 0.849 1.00 97.12 H +ATOM 1679 C ILE A 107 -10.645 5.476 1.875 1.00 97.12 C +ATOM 1680 CB ILE A 107 -8.244 5.067 2.520 1.00 97.12 C +ATOM 1681 HB ILE A 107 -8.678 4.364 3.232 1.00 97.12 H +ATOM 1682 O ILE A 107 -11.085 6.618 1.988 1.00 97.12 O +ATOM 1683 CG1 ILE A 107 -7.996 6.392 3.259 1.00 97.12 C +ATOM 1684 HG12 ILE A 107 -7.492 7.083 2.584 1.00 97.12 H +ATOM 1685 HG13 ILE A 107 -8.955 6.826 3.544 1.00 97.12 H +ATOM 1686 CG2 ILE A 107 -6.954 4.437 1.996 1.00 97.12 C +ATOM 1687 HG21 ILE A 107 -7.202 3.499 1.500 1.00 97.12 H +ATOM 1688 HG22 ILE A 107 -6.269 4.214 2.814 1.00 97.12 H +ATOM 1689 HG23 ILE A 107 -6.469 5.116 1.295 1.00 97.12 H +ATOM 1690 CD1 ILE A 107 -7.160 6.253 4.538 1.00 97.12 C +ATOM 1691 HD11 ILE A 107 -6.170 5.861 4.308 1.00 97.12 H +ATOM 1692 HD12 ILE A 107 -7.042 7.227 5.014 1.00 97.12 H +ATOM 1693 HD13 ILE A 107 -7.663 5.587 5.239 1.00 97.12 H +ATOM 1694 N PHE A 108 -11.336 4.391 2.198 1.00 96.44 N +ATOM 1695 H PHE A 108 -10.859 3.508 2.089 1.00 96.44 H +ATOM 1696 CA PHE A 108 -12.514 4.368 3.049 1.00 96.44 C +ATOM 1697 HA PHE A 108 -13.034 5.325 3.013 1.00 96.44 H +ATOM 1698 C PHE A 108 -12.063 4.103 4.485 1.00 96.44 C +ATOM 1699 CB PHE A 108 -13.453 3.262 2.552 1.00 96.44 C +ATOM 1700 HB2 PHE A 108 -13.873 3.560 1.592 1.00 96.44 H +ATOM 1701 HB3 PHE A 108 -12.873 2.354 2.385 1.00 96.44 H +ATOM 1702 O PHE A 108 -11.339 3.136 4.723 1.00 96.44 O +ATOM 1703 CG PHE A 108 -14.579 2.932 3.512 1.00 96.44 C +ATOM 1704 CD1 PHE A 108 -14.405 1.929 4.487 1.00 96.44 C +ATOM 1705 HD1 PHE A 108 -13.463 1.408 4.567 1.00 96.44 H +ATOM 1706 CD2 PHE A 108 -15.793 3.639 3.448 1.00 96.44 C +ATOM 1707 HD2 PHE A 108 -15.926 4.424 2.718 1.00 96.44 H +ATOM 1708 CE1 PHE A 108 -15.441 1.630 5.387 1.00 96.44 C +ATOM 1709 HE1 PHE A 108 -15.291 0.876 6.146 1.00 96.44 H +ATOM 1710 CE2 PHE A 108 -16.837 3.322 4.335 1.00 96.44 C +ATOM 1711 HE2 PHE A 108 -17.780 3.845 4.273 1.00 96.44 H +ATOM 1712 CZ PHE A 108 -16.658 2.327 5.311 1.00 96.44 C +ATOM 1713 HZ PHE A 108 -17.453 2.100 6.007 1.00 96.44 H +ATOM 1714 N VAL A 109 -12.522 4.927 5.421 1.00 96.62 N +ATOM 1715 H VAL A 109 -13.102 5.702 5.131 1.00 96.62 H +ATOM 1716 CA VAL A 109 -12.267 4.805 6.860 1.00 96.62 C +ATOM 1717 HA VAL A 109 -11.642 3.934 7.056 1.00 96.62 H +ATOM 1718 C VAL A 109 -13.611 4.610 7.554 1.00 96.62 C +ATOM 1719 CB VAL A 109 -11.535 6.054 7.395 1.00 96.62 C +ATOM 1720 HB VAL A 109 -12.192 6.921 7.317 1.00 96.62 H +ATOM 1721 O VAL A 109 -14.395 5.550 7.653 1.00 96.62 O +ATOM 1722 CG1 VAL A 109 -11.149 5.864 8.866 1.00 96.62 C +ATOM 1723 HG11 VAL A 109 -10.660 6.764 9.239 1.00 96.62 H +ATOM 1724 HG12 VAL A 109 -10.468 5.020 8.972 1.00 96.62 H +ATOM 1725 HG13 VAL A 109 -12.038 5.682 9.469 1.00 96.62 H +ATOM 1726 CG2 VAL A 109 -10.261 6.363 6.598 1.00 96.62 C +ATOM 1727 HG21 VAL A 109 -9.753 7.224 7.031 1.00 96.62 H +ATOM 1728 HG22 VAL A 109 -9.590 5.504 6.618 1.00 96.62 H +ATOM 1729 HG23 VAL A 109 -10.507 6.607 5.565 1.00 96.62 H +ATOM 1730 N GLY A 110 -13.912 3.393 7.997 1.00 95.38 N +ATOM 1731 H GLY A 110 -13.204 2.677 7.916 1.00 95.38 H +ATOM 1732 CA GLY A 110 -15.155 3.039 8.686 1.00 95.38 C +ATOM 1733 HA2 GLY A 110 -15.908 3.811 8.528 1.00 95.38 H +ATOM 1734 HA3 GLY A 110 -15.539 2.105 8.274 1.00 95.38 H +ATOM 1735 C GLY A 110 -14.968 2.844 10.189 1.00 95.38 C +ATOM 1736 O GLY A 110 -13.857 2.618 10.659 1.00 95.38 O +ATOM 1737 N GLY A 111 -16.061 2.908 10.951 1.00 93.75 N +ATOM 1738 H GLY A 111 -16.928 3.214 10.533 1.00 93.75 H +ATOM 1739 CA GLY A 111 -16.036 2.682 12.403 1.00 93.75 C +ATOM 1740 HA2 GLY A 111 -15.342 1.875 12.638 1.00 93.75 H +ATOM 1741 HA3 GLY A 111 -17.032 2.383 12.730 1.00 93.75 H +ATOM 1742 C GLY A 111 -15.625 3.907 13.223 1.00 93.75 C +ATOM 1743 O GLY A 111 -15.389 3.789 14.422 1.00 93.75 O +ATOM 1744 N ILE A 112 -15.568 5.087 12.600 1.00 93.94 N +ATOM 1745 H ILE A 112 -15.838 5.127 11.628 1.00 93.94 H +ATOM 1746 CA ILE A 112 -15.335 6.347 13.314 1.00 93.94 C +ATOM 1747 HA ILE A 112 -14.582 6.164 14.080 1.00 93.94 H +ATOM 1748 C ILE A 112 -16.608 6.785 14.045 1.00 93.94 C +ATOM 1749 CB ILE A 112 -14.771 7.442 12.385 1.00 93.94 C +ATOM 1750 HB ILE A 112 -14.611 8.331 12.996 1.00 93.94 H +ATOM 1751 O ILE A 112 -17.720 6.564 13.559 1.00 93.94 O +ATOM 1752 CG1 ILE A 112 -15.736 7.821 11.242 1.00 93.94 C +ATOM 1753 HG12 ILE A 112 -16.711 8.070 11.660 1.00 93.94 H +ATOM 1754 HG13 ILE A 112 -15.851 6.966 10.575 1.00 93.94 H +ATOM 1755 CG2 ILE A 112 -13.402 6.987 11.848 1.00 93.94 C +ATOM 1756 HG21 ILE A 112 -12.756 6.703 12.679 1.00 93.94 H +ATOM 1757 HG22 ILE A 112 -13.520 6.133 11.181 1.00 93.94 H +ATOM 1758 HG23 ILE A 112 -12.915 7.800 11.311 1.00 93.94 H +ATOM 1759 CD1 ILE A 112 -15.274 9.027 10.417 1.00 93.94 C +ATOM 1760 HD11 ILE A 112 -15.065 9.870 11.075 1.00 93.94 H +ATOM 1761 HD12 ILE A 112 -16.064 9.310 9.722 1.00 93.94 H +ATOM 1762 HD13 ILE A 112 -14.378 8.776 9.849 1.00 93.94 H +ATOM 1763 N LYS A 113 -16.461 7.402 15.218 1.00 93.12 N +ATOM 1764 H LYS A 113 -15.527 7.624 15.532 1.00 93.12 H +ATOM 1765 CA LYS A 113 -17.594 7.881 16.023 1.00 93.12 C +ATOM 1766 HA LYS A 113 -18.485 7.313 15.755 1.00 93.12 H +ATOM 1767 C LYS A 113 -17.933 9.341 15.720 1.00 93.12 C +ATOM 1768 CB LYS A 113 -17.312 7.634 17.510 1.00 93.12 C +ATOM 1769 HB2 LYS A 113 -18.044 8.173 18.111 1.00 93.12 H +ATOM 1770 HB3 LYS A 113 -16.318 8.006 17.754 1.00 93.12 H +ATOM 1771 O LYS A 113 -17.224 10.028 14.988 1.00 93.12 O +ATOM 1772 CG LYS A 113 -17.366 6.148 17.880 1.00 93.12 C +ATOM 1773 HG2 LYS A 113 -16.470 5.655 17.502 1.00 93.12 H +ATOM 1774 HG3 LYS A 113 -18.247 5.679 17.442 1.00 93.12 H +ATOM 1775 CD LYS A 113 -17.435 6.022 19.404 1.00 93.12 C +ATOM 1776 HD2 LYS A 113 -18.421 6.328 19.754 1.00 93.12 H +ATOM 1777 HD3 LYS A 113 -16.706 6.706 19.838 1.00 93.12 H +ATOM 1778 CE LYS A 113 -17.156 4.583 19.841 1.00 93.12 C +ATOM 1779 HE2 LYS A 113 -18.096 4.035 19.899 1.00 93.12 H +ATOM 1780 HE3 LYS A 113 -16.530 4.113 19.082 1.00 93.12 H +ATOM 1781 NZ LYS A 113 -16.433 4.562 21.133 1.00 93.12 N +ATOM 1782 HZ1 LYS A 113 -16.911 5.107 21.836 1.00 93.12 H +ATOM 1783 HZ2 LYS A 113 -16.274 3.618 21.455 1.00 93.12 H +ATOM 1784 HZ3 LYS A 113 -15.526 4.978 20.973 1.00 93.12 H +ATOM 1785 N GLU A 114 -19.056 9.815 16.264 1.00 91.50 N +ATOM 1786 H GLU A 114 -19.601 9.207 16.858 1.00 91.50 H +ATOM 1787 CA GLU A 114 -19.552 11.180 16.034 1.00 91.50 C +ATOM 1788 HA GLU A 114 -19.649 11.318 14.958 1.00 91.50 H +ATOM 1789 C GLU A 114 -18.595 12.273 16.552 1.00 91.50 C +ATOM 1790 CB GLU A 114 -20.948 11.365 16.656 1.00 91.50 C +ATOM 1791 HB2 GLU A 114 -21.225 12.415 16.561 1.00 91.50 H +ATOM 1792 HB3 GLU A 114 -20.904 11.111 17.715 1.00 91.50 H +ATOM 1793 O GLU A 114 -18.573 13.378 16.011 1.00 91.50 O +ATOM 1794 CG GLU A 114 -22.034 10.519 15.964 1.00 91.50 C +ATOM 1795 HG2 GLU A 114 -21.994 10.720 14.893 1.00 91.50 H +ATOM 1796 HG3 GLU A 114 -21.811 9.463 16.116 1.00 91.50 H +ATOM 1797 CD GLU A 114 -23.462 10.811 16.472 1.00 91.50 C +ATOM 1798 OE1 GLU A 114 -24.426 10.391 15.787 1.00 91.50 O +ATOM 1799 OE2 GLU A 114 -23.606 11.457 17.531 1.00 91.50 O +ATOM 1800 N ASP A 115 -17.758 11.948 17.535 1.00 93.25 N +ATOM 1801 H ASP A 115 -17.757 10.996 17.872 1.00 93.25 H +ATOM 1802 CA ASP A 115 -16.689 12.800 18.073 1.00 93.25 C +ATOM 1803 HA ASP A 115 -17.070 13.815 18.190 1.00 93.25 H +ATOM 1804 C ASP A 115 -15.450 12.884 17.160 1.00 93.25 C +ATOM 1805 CB ASP A 115 -16.301 12.275 19.469 1.00 93.25 C +ATOM 1806 HB2 ASP A 115 -17.188 12.276 20.104 1.00 93.25 H +ATOM 1807 HB3 ASP A 115 -15.575 12.957 19.911 1.00 93.25 H +ATOM 1808 O ASP A 115 -14.575 13.713 17.380 1.00 93.25 O +ATOM 1809 CG ASP A 115 -15.702 10.859 19.460 1.00 93.25 C +ATOM 1810 OD1 ASP A 115 -15.664 10.221 18.381 1.00 93.25 O +ATOM 1811 OD2 ASP A 115 -15.326 10.352 20.536 1.00 93.25 O +ATOM 1812 N THR A 116 -15.357 12.049 16.119 1.00 94.62 N +ATOM 1813 H THR A 116 -16.100 11.378 15.981 1.00 94.62 H +ATOM 1814 CA THR A 116 -14.217 12.042 15.197 1.00 94.62 C +ATOM 1815 HA THR A 116 -13.311 12.239 15.770 1.00 94.62 H +ATOM 1816 C THR A 116 -14.382 13.148 14.163 1.00 94.62 C +ATOM 1817 CB THR A 116 -14.047 10.677 14.525 1.00 94.62 C +ATOM 1818 HB THR A 116 -14.899 10.489 13.871 1.00 94.62 H +ATOM 1819 O THR A 116 -15.377 13.207 13.436 1.00 94.62 O +ATOM 1820 CG2 THR A 116 -12.757 10.608 13.704 1.00 94.62 C +ATOM 1821 HG21 THR A 116 -12.812 11.287 12.853 1.00 94.62 H +ATOM 1822 HG22 THR A 116 -12.607 9.594 13.335 1.00 94.62 H +ATOM 1823 HG23 THR A 116 -11.906 10.881 14.328 1.00 94.62 H +ATOM 1824 OG1 THR A 116 -13.992 9.665 15.513 1.00 94.62 O +ATOM 1825 HG1 THR A 116 -14.551 9.942 16.242 1.00 94.62 H +ATOM 1826 N GLU A 117 -13.403 14.040 14.097 1.00 95.00 N +ATOM 1827 H GLU A 117 -12.591 13.856 14.668 1.00 95.00 H +ATOM 1828 CA GLU A 117 -13.386 15.218 13.221 1.00 95.00 C +ATOM 1829 HA GLU A 117 -14.325 15.282 12.672 1.00 95.00 H +ATOM 1830 C GLU A 117 -12.280 15.132 12.170 1.00 95.00 C +ATOM 1831 CB GLU A 117 -13.240 16.511 14.031 1.00 95.00 C +ATOM 1832 HB2 GLU A 117 -13.207 17.345 13.330 1.00 95.00 H +ATOM 1833 HB3 GLU A 117 -12.300 16.483 14.581 1.00 95.00 H +ATOM 1834 O GLU A 117 -11.444 14.231 12.201 1.00 95.00 O +ATOM 1835 CG GLU A 117 -14.399 16.753 15.004 1.00 95.00 C +ATOM 1836 HG2 GLU A 117 -14.364 16.003 15.795 1.00 95.00 H +ATOM 1837 HG3 GLU A 117 -15.336 16.628 14.461 1.00 95.00 H +ATOM 1838 CD GLU A 117 -14.359 18.157 15.623 1.00 95.00 C +ATOM 1839 OE1 GLU A 117 -15.349 18.478 16.312 1.00 95.00 O +ATOM 1840 OE2 GLU A 117 -13.391 18.899 15.342 1.00 95.00 O +ATOM 1841 N GLU A 118 -12.288 16.076 11.228 1.00 96.12 N +ATOM 1842 H GLU A 118 -12.970 16.819 11.273 1.00 96.12 H +ATOM 1843 CA GLU A 118 -11.321 16.116 10.133 1.00 96.12 C +ATOM 1844 HA GLU A 118 -11.404 15.199 9.550 1.00 96.12 H +ATOM 1845 C GLU A 118 -9.879 16.192 10.641 1.00 96.12 C +ATOM 1846 CB GLU A 118 -11.654 17.302 9.219 1.00 96.12 C +ATOM 1847 HB2 GLU A 118 -12.667 17.166 8.841 1.00 96.12 H +ATOM 1848 HB3 GLU A 118 -11.606 18.231 9.787 1.00 96.12 H +ATOM 1849 O GLU A 118 -9.032 15.460 10.137 1.00 96.12 O +ATOM 1850 CG GLU A 118 -10.671 17.369 8.043 1.00 96.12 C +ATOM 1851 HG2 GLU A 118 -9.669 17.562 8.425 1.00 96.12 H +ATOM 1852 HG3 GLU A 118 -10.666 16.390 7.564 1.00 96.12 H +ATOM 1853 CD GLU A 118 -10.998 18.440 6.998 1.00 96.12 C +ATOM 1854 OE1 GLU A 118 -10.082 18.712 6.185 1.00 96.12 O +ATOM 1855 OE2 GLU A 118 -12.140 18.952 7.013 1.00 96.12 O +ATOM 1856 N HIS A 119 -9.610 17.013 11.662 1.00 96.88 N +ATOM 1857 H HIS A 119 -10.351 17.579 12.049 1.00 96.88 H +ATOM 1858 CA HIS A 119 -8.264 17.163 12.217 1.00 96.88 C +ATOM 1859 HA HIS A 119 -7.588 17.426 11.404 1.00 96.88 H +ATOM 1860 C HIS A 119 -7.744 15.842 12.807 1.00 96.88 C +ATOM 1861 CB HIS A 119 -8.238 18.326 13.217 1.00 96.88 C +ATOM 1862 HB2 HIS A 119 -8.628 19.224 12.738 1.00 96.88 H +ATOM 1863 HB3 HIS A 119 -7.198 18.521 13.478 1.00 96.88 H +ATOM 1864 O HIS A 119 -6.643 15.432 12.476 1.00 96.88 O +ATOM 1865 CG HIS A 119 -9.000 18.075 14.493 1.00 96.88 C +ATOM 1866 CD2 HIS A 119 -8.475 17.511 15.626 1.00 96.88 C +ATOM 1867 HD2 HIS A 119 -7.462 17.159 15.751 1.00 96.88 H +ATOM 1868 ND1 HIS A 119 -10.311 18.412 14.773 1.00 96.88 N +ATOM 1869 HD1 HIS A 119 -10.948 18.978 14.231 1.00 96.88 H +ATOM 1870 CE1 HIS A 119 -10.557 18.071 16.047 1.00 96.88 C +ATOM 1871 HE1 HIS A 119 -11.472 18.276 16.582 1.00 96.88 H +ATOM 1872 NE2 HIS A 119 -9.477 17.508 16.596 1.00 96.88 N +ATOM 1873 N HIS A 120 -8.577 15.082 13.531 1.00 96.75 N +ATOM 1874 H HIS A 120 -9.458 15.481 13.820 1.00 96.75 H +ATOM 1875 CA HIS A 120 -8.200 13.759 14.043 1.00 96.75 C +ATOM 1876 HA HIS A 120 -7.357 13.873 14.725 1.00 96.75 H +ATOM 1877 C HIS A 120 -7.783 12.783 12.930 1.00 96.75 C +ATOM 1878 CB HIS A 120 -9.386 13.136 14.790 1.00 96.75 C +ATOM 1879 HB2 HIS A 120 -10.208 12.975 14.092 1.00 96.75 H +ATOM 1880 HB3 HIS A 120 -9.075 12.157 15.153 1.00 96.75 H +ATOM 1881 O HIS A 120 -6.867 11.980 13.108 1.00 96.75 O +ATOM 1882 CG HIS A 120 -9.903 13.918 15.967 1.00 96.75 C +ATOM 1883 CD2 HIS A 120 -9.321 14.002 17.202 1.00 96.75 C +ATOM 1884 HD2 HIS A 120 -8.372 13.577 17.492 1.00 96.75 H +ATOM 1885 ND1 HIS A 120 -11.112 14.572 16.048 1.00 96.75 N +ATOM 1886 HD1 HIS A 120 -11.620 14.978 15.275 1.00 96.75 H +ATOM 1887 CE1 HIS A 120 -11.273 14.999 17.311 1.00 96.75 C +ATOM 1888 HE1 HIS A 120 -12.093 15.605 17.668 1.00 96.75 H +ATOM 1889 NE2 HIS A 120 -10.209 14.666 18.049 1.00 96.75 N +ATOM 1890 N LEU A 121 -8.477 12.822 11.785 1.00 96.81 N +ATOM 1891 H LEU A 121 -9.194 13.528 11.693 1.00 96.81 H +ATOM 1892 CA LEU A 121 -8.121 12.014 10.618 1.00 96.81 C +ATOM 1893 HA LEU A 121 -7.907 10.996 10.943 1.00 96.81 H +ATOM 1894 C LEU A 121 -6.839 12.535 9.964 1.00 96.81 C +ATOM 1895 CB LEU A 121 -9.280 12.002 9.602 1.00 96.81 C +ATOM 1896 HB2 LEU A 121 -9.550 13.034 9.381 1.00 96.81 H +ATOM 1897 HB3 LEU A 121 -8.932 11.547 8.675 1.00 96.81 H +ATOM 1898 O LEU A 121 -5.996 11.728 9.585 1.00 96.81 O +ATOM 1899 CG LEU A 121 -10.539 11.256 10.072 1.00 96.81 C +ATOM 1900 HG LEU A 121 -10.823 11.593 11.069 1.00 96.81 H +ATOM 1901 CD1 LEU A 121 -11.693 11.535 9.109 1.00 96.81 C +ATOM 1902 HD11 LEU A 121 -11.895 12.606 9.099 1.00 96.81 H +ATOM 1903 HD12 LEU A 121 -11.432 11.213 8.101 1.00 96.81 H +ATOM 1904 HD13 LEU A 121 -12.588 11.014 9.449 1.00 96.81 H +ATOM 1905 CD2 LEU A 121 -10.344 9.739 10.089 1.00 96.81 C +ATOM 1906 HD21 LEU A 121 -9.438 9.479 10.637 1.00 96.81 H +ATOM 1907 HD22 LEU A 121 -11.200 9.268 10.571 1.00 96.81 H +ATOM 1908 HD23 LEU A 121 -10.250 9.370 9.067 1.00 96.81 H +ATOM 1909 N ARG A 122 -6.688 13.857 9.838 1.00 97.19 N +ATOM 1910 H ARG A 122 -7.412 14.456 10.210 1.00 97.19 H +ATOM 1911 CA ARG A 122 -5.505 14.494 9.253 1.00 97.19 C +ATOM 1912 HA ARG A 122 -5.343 14.075 8.259 1.00 97.19 H +ATOM 1913 C ARG A 122 -4.251 14.154 10.052 1.00 97.19 C +ATOM 1914 CB ARG A 122 -5.737 16.006 9.123 1.00 97.19 C +ATOM 1915 HB2 ARG A 122 -5.878 16.440 10.112 1.00 97.19 H +ATOM 1916 HB3 ARG A 122 -6.646 16.176 8.545 1.00 97.19 H +ATOM 1917 O ARG A 122 -3.353 13.558 9.473 1.00 97.19 O +ATOM 1918 CG ARG A 122 -4.561 16.716 8.439 1.00 97.19 C +ATOM 1919 HG2 ARG A 122 -3.715 16.731 9.127 1.00 97.19 H +ATOM 1920 HG3 ARG A 122 -4.261 16.180 7.539 1.00 97.19 H +ATOM 1921 CD ARG A 122 -4.926 18.164 8.081 1.00 97.19 C +ATOM 1922 HD2 ARG A 122 -5.522 18.587 8.889 1.00 97.19 H +ATOM 1923 HD3 ARG A 122 -4.005 18.745 8.034 1.00 97.19 H +ATOM 1924 NE ARG A 122 -5.667 18.266 6.800 1.00 97.19 N +ATOM 1925 HE ARG A 122 -6.673 18.193 6.855 1.00 97.19 H +ATOM 1926 NH1 ARG A 122 -3.853 18.615 5.437 1.00 97.19 N +ATOM 1927 HH11 ARG A 122 -3.460 18.690 4.509 1.00 97.19 H +ATOM 1928 HH12 ARG A 122 -3.254 18.505 6.243 1.00 97.19 H +ATOM 1929 NH2 ARG A 122 -5.900 18.529 4.549 1.00 97.19 N +ATOM 1930 HH21 ARG A 122 -6.903 18.488 4.664 1.00 97.19 H +ATOM 1931 HH22 ARG A 122 -5.498 18.608 3.625 1.00 97.19 H +ATOM 1932 CZ ARG A 122 -5.138 18.473 5.606 1.00 97.19 C +ATOM 1933 N ASP A 123 -4.260 14.406 11.356 1.00 96.62 N +ATOM 1934 H ASP A 123 -5.024 14.950 11.730 1.00 96.62 H +ATOM 1935 CA ASP A 123 -3.134 14.171 12.267 1.00 96.62 C +ATOM 1936 HA ASP A 123 -2.289 14.796 11.975 1.00 96.62 H +ATOM 1937 C ASP A 123 -2.684 12.700 12.251 1.00 96.62 C +ATOM 1938 CB ASP A 123 -3.554 14.545 13.704 1.00 96.62 C +ATOM 1939 HB2 ASP A 123 -2.715 14.342 14.369 1.00 96.62 H +ATOM 1940 HB3 ASP A 123 -4.374 13.892 14.004 1.00 96.62 H +ATOM 1941 O ASP A 123 -1.496 12.389 12.304 1.00 96.62 O +ATOM 1942 CG ASP A 123 -3.992 16.002 13.924 1.00 96.62 C +ATOM 1943 OD1 ASP A 123 -3.800 16.848 13.022 1.00 96.62 O +ATOM 1944 OD2 ASP A 123 -4.577 16.250 15.005 1.00 96.62 O +ATOM 1945 N TYR A 124 -3.632 11.759 12.151 1.00 96.44 N +ATOM 1946 H TYR A 124 -4.599 12.053 12.146 1.00 96.44 H +ATOM 1947 CA TYR A 124 -3.295 10.338 12.095 1.00 96.44 C +ATOM 1948 HA TYR A 124 -2.481 10.153 12.796 1.00 96.44 H +ATOM 1949 C TYR A 124 -2.804 9.889 10.716 1.00 96.44 C +ATOM 1950 CB TYR A 124 -4.490 9.488 12.532 1.00 96.44 C +ATOM 1951 HB2 TYR A 124 -4.808 9.806 13.525 1.00 96.44 H +ATOM 1952 HB3 TYR A 124 -5.322 9.656 11.848 1.00 96.44 H +ATOM 1953 O TYR A 124 -1.897 9.066 10.627 1.00 96.44 O +ATOM 1954 CG TYR A 124 -4.155 8.008 12.573 1.00 96.44 C +ATOM 1955 CD1 TYR A 124 -4.483 7.174 11.487 1.00 96.44 C +ATOM 1956 HD1 TYR A 124 -4.989 7.588 10.627 1.00 96.44 H +ATOM 1957 CD2 TYR A 124 -3.468 7.479 13.681 1.00 96.44 C +ATOM 1958 HD2 TYR A 124 -3.205 8.126 14.505 1.00 96.44 H +ATOM 1959 CE1 TYR A 124 -4.136 5.811 11.513 1.00 96.44 C +ATOM 1960 HE1 TYR A 124 -4.378 5.181 10.670 1.00 96.44 H +ATOM 1961 CE2 TYR A 124 -3.109 6.118 13.709 1.00 96.44 C +ATOM 1962 HE2 TYR A 124 -2.580 5.724 14.565 1.00 96.44 H +ATOM 1963 OH TYR A 124 -3.097 3.969 12.646 1.00 96.44 O +ATOM 1964 HH TYR A 124 -2.479 3.796 13.360 1.00 96.44 H +ATOM 1965 CZ TYR A 124 -3.444 5.283 12.623 1.00 96.44 C +ATOM 1966 N PHE A 125 -3.426 10.347 9.629 1.00 96.94 N +ATOM 1967 H PHE A 125 -4.149 11.044 9.736 1.00 96.94 H +ATOM 1968 CA PHE A 125 -3.132 9.829 8.292 1.00 96.94 C +ATOM 1969 HA PHE A 125 -2.771 8.807 8.401 1.00 96.94 H +ATOM 1970 C PHE A 125 -2.001 10.573 7.573 1.00 96.94 C +ATOM 1971 CB PHE A 125 -4.419 9.755 7.463 1.00 96.94 C +ATOM 1972 HB2 PHE A 125 -4.966 10.694 7.554 1.00 96.94 H +ATOM 1973 HB3 PHE A 125 -4.145 9.667 6.412 1.00 96.94 H +ATOM 1974 O PHE A 125 -1.405 10.002 6.660 1.00 96.94 O +ATOM 1975 CG PHE A 125 -5.329 8.590 7.820 1.00 96.94 C +ATOM 1976 CD1 PHE A 125 -4.865 7.264 7.712 1.00 96.94 C +ATOM 1977 HD1 PHE A 125 -3.857 7.071 7.375 1.00 96.94 H +ATOM 1978 CD2 PHE A 125 -6.636 8.827 8.279 1.00 96.94 C +ATOM 1979 HD2 PHE A 125 -7.001 9.840 8.366 1.00 96.94 H +ATOM 1980 CE1 PHE A 125 -5.698 6.189 8.073 1.00 96.94 C +ATOM 1981 HE1 PHE A 125 -5.325 5.177 8.018 1.00 96.94 H +ATOM 1982 CE2 PHE A 125 -7.464 7.753 8.648 1.00 96.94 C +ATOM 1983 HE2 PHE A 125 -8.457 7.943 9.028 1.00 96.94 H +ATOM 1984 CZ PHE A 125 -6.998 6.433 8.545 1.00 96.94 C +ATOM 1985 HZ PHE A 125 -7.628 5.610 8.847 1.00 96.94 H +ATOM 1986 N GLU A 126 -1.656 11.793 7.988 1.00 96.25 N +ATOM 1987 H GLU A 126 -2.179 12.237 8.729 1.00 96.25 H +ATOM 1988 CA GLU A 126 -0.590 12.582 7.355 1.00 96.25 C +ATOM 1989 HA GLU A 126 -0.794 12.630 6.285 1.00 96.25 H +ATOM 1990 C GLU A 126 0.797 11.942 7.496 1.00 96.25 C +ATOM 1991 CB GLU A 126 -0.602 14.023 7.883 1.00 96.25 C +ATOM 1992 HB2 GLU A 126 0.087 14.608 7.275 1.00 96.25 H +ATOM 1993 HB3 GLU A 126 -1.601 14.433 7.734 1.00 96.25 H +ATOM 1994 O GLU A 126 1.657 12.144 6.641 1.00 96.25 O +ATOM 1995 CG GLU A 126 -0.192 14.162 9.361 1.00 96.25 C +ATOM 1996 HG2 GLU A 126 0.836 13.817 9.471 1.00 96.25 H +ATOM 1997 HG3 GLU A 126 -0.823 13.519 9.974 1.00 96.25 H +ATOM 1998 CD GLU A 126 -0.281 15.609 9.869 1.00 96.25 C +ATOM 1999 OE1 GLU A 126 0.104 15.824 11.038 1.00 96.25 O +ATOM 2000 OE2 GLU A 126 -0.685 16.499 9.075 1.00 96.25 O +ATOM 2001 N GLN A 127 0.995 11.090 8.510 1.00 95.19 N +ATOM 2002 H GLN A 127 0.272 11.021 9.212 1.00 95.19 H +ATOM 2003 CA GLN A 127 2.240 10.340 8.703 1.00 95.19 C +ATOM 2004 HA GLN A 127 3.059 11.059 8.727 1.00 95.19 H +ATOM 2005 C GLN A 127 2.545 9.351 7.562 1.00 95.19 C +ATOM 2006 CB GLN A 127 2.206 9.622 10.065 1.00 95.19 C +ATOM 2007 HB2 GLN A 127 1.883 10.327 10.831 1.00 95.19 H +ATOM 2008 HB3 GLN A 127 3.217 9.298 10.313 1.00 95.19 H +ATOM 2009 O GLN A 127 3.694 8.952 7.386 1.00 95.19 O +ATOM 2010 CG GLN A 127 1.282 8.392 10.084 1.00 95.19 C +ATOM 2011 HG2 GLN A 127 1.692 7.616 9.438 1.00 95.19 H +ATOM 2012 HG3 GLN A 127 0.308 8.674 9.685 1.00 95.19 H +ATOM 2013 CD GLN A 127 1.120 7.785 11.475 1.00 95.19 C +ATOM 2014 NE2 GLN A 127 -0.069 7.387 11.862 1.00 95.19 N +ATOM 2015 HE21 GLN A 127 -0.862 7.736 11.344 1.00 95.19 H +ATOM 2016 HE22 GLN A 127 -0.137 7.101 12.828 1.00 95.19 H +ATOM 2017 OE1 GLN A 127 2.053 7.633 12.245 1.00 95.19 O +ATOM 2018 N TYR A 128 1.534 8.930 6.792 1.00 95.06 N +ATOM 2019 H TYR A 128 0.615 9.317 6.956 1.00 95.06 H +ATOM 2020 CA TYR A 128 1.712 7.986 5.682 1.00 95.06 C +ATOM 2021 HA TYR A 128 2.569 7.346 5.892 1.00 95.06 H +ATOM 2022 C TYR A 128 1.989 8.680 4.348 1.00 95.06 C +ATOM 2023 CB TYR A 128 0.476 7.092 5.555 1.00 95.06 C +ATOM 2024 HB2 TYR A 128 0.599 6.441 4.689 1.00 95.06 H +ATOM 2025 HB3 TYR A 128 -0.394 7.721 5.364 1.00 95.06 H +ATOM 2026 O TYR A 128 2.531 8.048 3.441 1.00 95.06 O +ATOM 2027 CG TYR A 128 0.214 6.224 6.766 1.00 95.06 C +ATOM 2028 CD1 TYR A 128 0.865 4.984 6.906 1.00 95.06 C +ATOM 2029 HD1 TYR A 128 1.577 4.665 6.159 1.00 95.06 H +ATOM 2030 CD2 TYR A 128 -0.686 6.661 7.753 1.00 95.06 C +ATOM 2031 HD2 TYR A 128 -1.159 7.626 7.650 1.00 95.06 H +ATOM 2032 CE1 TYR A 128 0.600 4.171 8.026 1.00 95.06 C +ATOM 2033 HE1 TYR A 128 1.097 3.220 8.140 1.00 95.06 H +ATOM 2034 CE2 TYR A 128 -0.952 5.859 8.876 1.00 95.06 C +ATOM 2035 HE2 TYR A 128 -1.633 6.196 9.644 1.00 95.06 H +ATOM 2036 OH TYR A 128 -0.600 3.833 10.082 1.00 95.06 O +ATOM 2037 HH TYR A 128 -0.111 3.009 10.029 1.00 95.06 H +ATOM 2038 CZ TYR A 128 -0.311 4.613 9.012 1.00 95.06 C +ATOM 2039 N GLY A 129 1.602 9.950 4.217 1.00 94.81 N +ATOM 2040 H GLY A 129 1.217 10.425 5.021 1.00 94.81 H +ATOM 2041 CA GLY A 129 1.738 10.730 2.995 1.00 94.81 C +ATOM 2042 HA2 GLY A 129 2.778 11.039 2.887 1.00 94.81 H +ATOM 2043 HA3 GLY A 129 1.475 10.119 2.132 1.00 94.81 H +ATOM 2044 C GLY A 129 0.857 11.976 2.997 1.00 94.81 C +ATOM 2045 O GLY A 129 0.036 12.194 3.891 1.00 94.81 O +ATOM 2046 N LYS A 130 1.007 12.810 1.967 1.00 97.25 N +ATOM 2047 H LYS A 130 1.592 12.535 1.191 1.00 97.25 H +ATOM 2048 CA LYS A 130 0.309 14.092 1.886 1.00 97.25 C +ATOM 2049 HA LYS A 130 0.373 14.573 2.862 1.00 97.25 H +ATOM 2050 C LYS A 130 -1.169 13.885 1.549 1.00 97.25 C +ATOM 2051 CB LYS A 130 1.039 14.970 0.872 1.00 97.25 C +ATOM 2052 HB2 LYS A 130 2.077 15.083 1.184 1.00 97.25 H +ATOM 2053 HB3 LYS A 130 1.028 14.450 -0.087 1.00 97.25 H +ATOM 2054 O LYS A 130 -1.532 13.335 0.511 1.00 97.25 O +ATOM 2055 CG LYS A 130 0.415 16.356 0.691 1.00 97.25 C +ATOM 2056 HG2 LYS A 130 0.495 16.919 1.621 1.00 97.25 H +ATOM 2057 HG3 LYS A 130 -0.634 16.262 0.412 1.00 97.25 H +ATOM 2058 CD LYS A 130 1.164 17.078 -0.428 1.00 97.25 C +ATOM 2059 HD2 LYS A 130 1.083 16.487 -1.340 1.00 97.25 H +ATOM 2060 HD3 LYS A 130 2.217 17.168 -0.161 1.00 97.25 H +ATOM 2061 CE LYS A 130 0.562 18.463 -0.658 1.00 97.25 C +ATOM 2062 HE2 LYS A 130 -0.507 18.345 -0.835 1.00 97.25 H +ATOM 2063 HE3 LYS A 130 0.698 19.060 0.244 1.00 97.25 H +ATOM 2064 NZ LYS A 130 1.209 19.106 -1.823 1.00 97.25 N +ATOM 2065 HZ1 LYS A 130 0.804 20.013 -2.006 1.00 97.25 H +ATOM 2066 HZ2 LYS A 130 1.080 18.518 -2.634 1.00 97.25 H +ATOM 2067 HZ3 LYS A 130 2.202 19.196 -1.663 1.00 97.25 H +ATOM 2068 N ILE A 131 -2.031 14.379 2.432 1.00 98.12 N +ATOM 2069 H ILE A 131 -1.659 14.753 3.294 1.00 98.12 H +ATOM 2070 CA ILE A 131 -3.483 14.333 2.258 1.00 98.12 C +ATOM 2071 HA ILE A 131 -3.744 13.404 1.751 1.00 98.12 H +ATOM 2072 C ILE A 131 -3.941 15.501 1.376 1.00 98.12 C +ATOM 2073 CB ILE A 131 -4.191 14.324 3.627 1.00 98.12 C +ATOM 2074 HB ILE A 131 -3.904 15.224 4.172 1.00 98.12 H +ATOM 2075 O ILE A 131 -3.676 16.665 1.687 1.00 98.12 O +ATOM 2076 CG1 ILE A 131 -3.770 13.090 4.458 1.00 98.12 C +ATOM 2077 HG12 ILE A 131 -4.142 12.183 3.982 1.00 98.12 H +ATOM 2078 HG13 ILE A 131 -2.683 13.024 4.501 1.00 98.12 H +ATOM 2079 CG2 ILE A 131 -5.715 14.342 3.425 1.00 98.12 C +ATOM 2080 HG21 ILE A 131 -6.032 15.273 2.954 1.00 98.12 H +ATOM 2081 HG22 ILE A 131 -6.212 14.277 4.393 1.00 98.12 H +ATOM 2082 HG23 ILE A 131 -6.022 13.500 2.805 1.00 98.12 H +ATOM 2083 CD1 ILE A 131 -4.266 13.138 5.905 1.00 98.12 C +ATOM 2084 HD11 ILE A 131 -3.989 14.088 6.360 1.00 98.12 H +ATOM 2085 HD12 ILE A 131 -5.345 12.993 5.955 1.00 98.12 H +ATOM 2086 HD13 ILE A 131 -3.789 12.334 6.466 1.00 98.12 H +ATOM 2087 N GLU A 132 -4.677 15.190 0.311 1.00 97.75 N +ATOM 2088 H GLU A 132 -4.862 14.213 0.135 1.00 97.75 H +ATOM 2089 CA GLU A 132 -5.346 16.166 -0.554 1.00 97.75 C +ATOM 2090 HA GLU A 132 -4.740 17.069 -0.624 1.00 97.75 H +ATOM 2091 C GLU A 132 -6.709 16.577 0.013 1.00 97.75 C +ATOM 2092 CB GLU A 132 -5.532 15.600 -1.974 1.00 97.75 C +ATOM 2093 HB2 GLU A 132 -6.076 14.657 -1.916 1.00 97.75 H +ATOM 2094 HB3 GLU A 132 -6.134 16.308 -2.543 1.00 97.75 H +ATOM 2095 O GLU A 132 -6.991 17.767 0.139 1.00 97.75 O +ATOM 2096 CG GLU A 132 -4.212 15.385 -2.728 1.00 97.75 C +ATOM 2097 HG2 GLU A 132 -3.633 14.619 -2.213 1.00 97.75 H +ATOM 2098 HG3 GLU A 132 -3.643 16.314 -2.696 1.00 97.75 H +ATOM 2099 CD GLU A 132 -4.425 14.969 -4.197 1.00 97.75 C +ATOM 2100 OE1 GLU A 132 -3.508 15.231 -5.010 1.00 97.75 O +ATOM 2101 OE2 GLU A 132 -5.501 14.410 -4.519 1.00 97.75 O +ATOM 2102 N VAL A 133 -7.560 15.603 0.361 1.00 97.44 N +ATOM 2103 H VAL A 133 -7.234 14.649 0.299 1.00 97.44 H +ATOM 2104 CA VAL A 133 -8.958 15.851 0.759 1.00 97.44 C +ATOM 2105 HA VAL A 133 -9.030 16.852 1.184 1.00 97.44 H +ATOM 2106 C VAL A 133 -9.410 14.851 1.820 1.00 97.44 C +ATOM 2107 CB VAL A 133 -9.915 15.779 -0.457 1.00 97.44 C +ATOM 2108 HB VAL A 133 -9.943 14.754 -0.826 1.00 97.44 H +ATOM 2109 O VAL A 133 -9.174 13.650 1.680 1.00 97.44 O +ATOM 2110 CG1 VAL A 133 -11.342 16.190 -0.073 1.00 97.44 C +ATOM 2111 HG11 VAL A 133 -11.733 15.533 0.704 1.00 97.44 H +ATOM 2112 HG12 VAL A 133 -11.351 17.216 0.294 1.00 97.44 H +ATOM 2113 HG13 VAL A 133 -12.000 16.114 -0.938 1.00 97.44 H +ATOM 2114 CG2 VAL A 133 -9.499 16.691 -1.619 1.00 97.44 C +ATOM 2115 HG21 VAL A 133 -10.252 16.667 -2.407 1.00 97.44 H +ATOM 2116 HG22 VAL A 133 -8.558 16.346 -2.049 1.00 97.44 H +ATOM 2117 HG23 VAL A 133 -9.378 17.715 -1.266 1.00 97.44 H +ATOM 2118 N ILE A 134 -10.131 15.326 2.838 1.00 97.69 N +ATOM 2119 H ILE A 134 -10.312 16.319 2.886 1.00 97.69 H +ATOM 2120 CA ILE A 134 -10.843 14.494 3.816 1.00 97.69 C +ATOM 2121 HA ILE A 134 -10.684 13.441 3.581 1.00 97.69 H +ATOM 2122 C ILE A 134 -12.342 14.784 3.702 1.00 97.69 C +ATOM 2123 CB ILE A 134 -10.315 14.738 5.246 1.00 97.69 C +ATOM 2124 HB ILE A 134 -10.470 15.791 5.479 1.00 97.69 H +ATOM 2125 O ILE A 134 -12.767 15.932 3.744 1.00 97.69 O +ATOM 2126 CG1 ILE A 134 -8.801 14.444 5.318 1.00 97.69 C +ATOM 2127 HG12 ILE A 134 -8.623 13.406 5.041 1.00 97.69 H +ATOM 2128 HG13 ILE A 134 -8.293 15.088 4.600 1.00 97.69 H +ATOM 2129 CG2 ILE A 134 -11.096 13.876 6.260 1.00 97.69 C +ATOM 2130 HG21 ILE A 134 -12.148 14.162 6.265 1.00 97.69 H +ATOM 2131 HG22 ILE A 134 -11.006 12.820 6.006 1.00 97.69 H +ATOM 2132 HG23 ILE A 134 -10.716 14.038 7.269 1.00 97.69 H +ATOM 2133 CD1 ILE A 134 -8.148 14.710 6.677 1.00 97.69 C +ATOM 2134 HD11 ILE A 134 -7.065 14.629 6.580 1.00 97.69 H +ATOM 2135 HD12 ILE A 134 -8.481 13.979 7.414 1.00 97.69 H +ATOM 2136 HD13 ILE A 134 -8.396 15.716 7.015 1.00 97.69 H +ATOM 2137 N GLU A 135 -13.155 13.740 3.563 1.00 96.56 N +ATOM 2138 H GLU A 135 -12.735 12.822 3.520 1.00 96.56 H +ATOM 2139 CA GLU A 135 -14.614 13.836 3.468 1.00 96.56 C +ATOM 2140 HA GLU A 135 -14.934 14.865 3.634 1.00 96.56 H +ATOM 2141 C GLU A 135 -15.263 12.956 4.540 1.00 96.56 C +ATOM 2142 CB GLU A 135 -15.101 13.417 2.069 1.00 96.56 C +ATOM 2143 HB2 GLU A 135 -16.191 13.384 2.081 1.00 96.56 H +ATOM 2144 HB3 GLU A 135 -14.738 12.412 1.853 1.00 96.56 H +ATOM 2145 O GLU A 135 -15.359 11.736 4.384 1.00 96.56 O +ATOM 2146 CG GLU A 135 -14.663 14.351 0.935 1.00 96.56 C +ATOM 2147 HG2 GLU A 135 -15.047 15.354 1.120 1.00 96.56 H +ATOM 2148 HG3 GLU A 135 -13.574 14.388 0.910 1.00 96.56 H +ATOM 2149 CD GLU A 135 -15.176 13.819 -0.409 1.00 96.56 C +ATOM 2150 OE1 GLU A 135 -16.284 14.210 -0.834 1.00 96.56 O +ATOM 2151 OE2 GLU A 135 -14.504 12.926 -0.992 1.00 96.56 O +ATOM 2152 N ILE A 136 -15.737 13.558 5.634 1.00 95.88 N +ATOM 2153 H ILE A 136 -15.620 14.557 5.723 1.00 95.88 H +ATOM 2154 CA ILE A 136 -16.544 12.853 6.640 1.00 95.88 C +ATOM 2155 HA ILE A 136 -16.181 11.829 6.722 1.00 95.88 H +ATOM 2156 C ILE A 136 -17.989 12.800 6.153 1.00 95.88 C +ATOM 2157 CB ILE A 136 -16.421 13.489 8.039 1.00 95.88 C +ATOM 2158 HB ILE A 136 -16.736 14.531 7.984 1.00 95.88 H +ATOM 2159 O ILE A 136 -18.639 13.827 5.960 1.00 95.88 O +ATOM 2160 CG1 ILE A 136 -14.947 13.437 8.495 1.00 95.88 C +ATOM 2161 HG12 ILE A 136 -14.613 12.400 8.525 1.00 95.88 H +ATOM 2162 HG13 ILE A 136 -14.325 13.969 7.776 1.00 95.88 H +ATOM 2163 CG2 ILE A 136 -17.335 12.748 9.039 1.00 95.88 C +ATOM 2164 HG21 ILE A 136 -17.031 11.705 9.125 1.00 95.88 H +ATOM 2165 HG22 ILE A 136 -17.277 13.221 10.020 1.00 95.88 H +ATOM 2166 HG23 ILE A 136 -18.377 12.800 8.722 1.00 95.88 H +ATOM 2167 CD1 ILE A 136 -14.680 14.064 9.865 1.00 95.88 C +ATOM 2168 HD11 ILE A 136 -13.605 14.034 10.045 1.00 95.88 H +ATOM 2169 HD12 ILE A 136 -15.168 13.495 10.656 1.00 95.88 H +ATOM 2170 HD13 ILE A 136 -15.021 15.099 9.879 1.00 95.88 H +ATOM 2171 N MET A 137 -18.517 11.592 5.968 1.00 94.75 N +ATOM 2172 H MET A 137 -17.981 10.774 6.217 1.00 94.75 H +ATOM 2173 CA MET A 137 -19.838 11.421 5.378 1.00 94.75 C +ATOM 2174 HA MET A 137 -19.975 12.188 4.616 1.00 94.75 H +ATOM 2175 C MET A 137 -20.928 11.619 6.427 1.00 94.75 C +ATOM 2176 CB MET A 137 -19.930 10.055 4.692 1.00 94.75 C +ATOM 2177 HB2 MET A 137 -20.949 9.893 4.340 1.00 94.75 H +ATOM 2178 HB3 MET A 137 -19.689 9.269 5.407 1.00 94.75 H +ATOM 2179 O MET A 137 -21.002 10.880 7.408 1.00 94.75 O +ATOM 2180 CG MET A 137 -18.962 9.975 3.504 1.00 94.75 C +ATOM 2181 HG2 MET A 137 -19.033 8.981 3.062 1.00 94.75 H +ATOM 2182 HG3 MET A 137 -17.942 10.095 3.867 1.00 94.75 H +ATOM 2183 SD MET A 137 -19.224 11.147 2.147 1.00 94.75 S +ATOM 2184 CE MET A 137 -20.914 10.752 1.642 1.00 94.75 C +ATOM 2185 HE1 MET A 137 -21.606 11.028 2.438 1.00 94.75 H +ATOM 2186 HE2 MET A 137 -21.154 11.327 0.748 1.00 94.75 H +ATOM 2187 HE3 MET A 137 -20.990 9.687 1.425 1.00 94.75 H +ATOM 2188 N THR A 138 -21.821 12.575 6.192 1.00 93.25 N +ATOM 2189 H THR A 138 -21.656 13.220 5.433 1.00 93.25 H +ATOM 2190 CA THR A 138 -22.993 12.850 7.032 1.00 93.25 C +ATOM 2191 HA THR A 138 -22.918 12.271 7.952 1.00 93.25 H +ATOM 2192 C THR A 138 -24.285 12.413 6.345 1.00 93.25 C +ATOM 2193 CB THR A 138 -23.050 14.325 7.453 1.00 93.25 C +ATOM 2194 HB THR A 138 -23.973 14.512 8.001 1.00 93.25 H +ATOM 2195 O THR A 138 -24.368 12.264 5.120 1.00 93.25 O +ATOM 2196 CG2 THR A 138 -21.864 14.711 8.337 1.00 93.25 C +ATOM 2197 HG21 THR A 138 -21.949 15.760 8.622 1.00 93.25 H +ATOM 2198 HG22 THR A 138 -20.921 14.559 7.812 1.00 93.25 H +ATOM 2199 HG23 THR A 138 -21.878 14.113 9.248 1.00 93.25 H +ATOM 2200 OG1 THR A 138 -23.012 15.145 6.311 1.00 93.25 O +ATOM 2201 HG1 THR A 138 -22.878 16.046 6.614 1.00 93.25 H +ATOM 2202 N ASP A 139 -25.296 12.104 7.149 1.00 90.75 N +ATOM 2203 H ASP A 139 -25.171 12.209 8.146 1.00 90.75 H +ATOM 2204 CA ASP A 139 -26.644 11.836 6.676 1.00 90.75 C +ATOM 2205 HA ASP A 139 -26.594 11.178 5.809 1.00 90.75 H +ATOM 2206 C ASP A 139 -27.312 13.148 6.249 1.00 90.75 C +ATOM 2207 CB ASP A 139 -27.439 11.115 7.763 1.00 90.75 C +ATOM 2208 HB2 ASP A 139 -27.405 11.701 8.682 1.00 90.75 H +ATOM 2209 HB3 ASP A 139 -26.995 10.138 7.955 1.00 90.75 H +ATOM 2210 O ASP A 139 -27.323 14.126 6.996 1.00 90.75 O +ATOM 2211 CG ASP A 139 -28.877 10.940 7.292 1.00 90.75 C +ATOM 2212 OD1 ASP A 139 -29.764 11.585 7.898 1.00 90.75 O +ATOM 2213 OD2 ASP A 139 -29.047 10.275 6.247 1.00 90.75 O +ATOM 2214 N ARG A 140 -27.887 13.169 5.040 1.00 85.75 N +ATOM 2215 H ARG A 140 -27.944 12.295 4.537 1.00 85.75 H +ATOM 2216 CA ARG A 140 -28.424 14.399 4.433 1.00 85.75 C +ATOM 2217 HA ARG A 140 -27.671 15.184 4.506 1.00 85.75 H +ATOM 2218 C ARG A 140 -29.643 14.959 5.170 1.00 85.75 C +ATOM 2219 CB ARG A 140 -28.777 14.168 2.956 1.00 85.75 C +ATOM 2220 HB2 ARG A 140 -29.459 13.321 2.879 1.00 85.75 H +ATOM 2221 HB3 ARG A 140 -29.295 15.053 2.586 1.00 85.75 H +ATOM 2222 O ARG A 140 -29.920 16.142 5.022 1.00 85.75 O +ATOM 2223 CG ARG A 140 -27.549 13.928 2.069 1.00 85.75 C +ATOM 2224 HG2 ARG A 140 -27.037 13.019 2.383 1.00 85.75 H +ATOM 2225 HG3 ARG A 140 -26.868 14.774 2.160 1.00 85.75 H +ATOM 2226 CD ARG A 140 -27.999 13.788 0.609 1.00 85.75 C +ATOM 2227 HD2 ARG A 140 -28.688 12.947 0.535 1.00 85.75 H +ATOM 2228 HD3 ARG A 140 -28.523 14.700 0.322 1.00 85.75 H +ATOM 2229 NE ARG A 140 -26.854 13.575 -0.297 1.00 85.75 N +ATOM 2230 HE ARG A 140 -25.939 13.591 0.129 1.00 85.75 H +ATOM 2231 NH1 ARG A 140 -28.048 13.540 -2.258 1.00 85.75 N +ATOM 2232 HH11 ARG A 140 -28.074 13.575 -3.267 1.00 85.75 H +ATOM 2233 HH12 ARG A 140 -28.891 13.704 -1.726 1.00 85.75 H +ATOM 2234 NH2 ARG A 140 -25.822 13.365 -2.317 1.00 85.75 N +ATOM 2235 HH21 ARG A 140 -24.926 13.446 -1.858 1.00 85.75 H +ATOM 2236 HH22 ARG A 140 -25.863 13.409 -3.325 1.00 85.75 H +ATOM 2237 CZ ARG A 140 -26.914 13.490 -1.614 1.00 85.75 C +ATOM 2238 N GLY A 141 -30.384 14.124 5.903 1.00 88.81 N +ATOM 2239 H GLY A 141 -30.065 13.174 6.026 1.00 88.81 H +ATOM 2240 CA GLY A 141 -31.581 14.548 6.632 1.00 88.81 C +ATOM 2241 HA2 GLY A 141 -32.076 15.365 6.106 1.00 88.81 H +ATOM 2242 HA3 GLY A 141 -32.271 13.707 6.693 1.00 88.81 H +ATOM 2243 C GLY A 141 -31.272 15.007 8.053 1.00 88.81 C +ATOM 2244 O GLY A 141 -31.712 16.071 8.472 1.00 88.81 O +ATOM 2245 N SER A 142 -30.513 14.202 8.795 1.00 89.44 N +ATOM 2246 H SER A 142 -30.202 13.332 8.387 1.00 89.44 H +ATOM 2247 CA SER A 142 -30.245 14.436 10.220 1.00 89.44 C +ATOM 2248 HA SER A 142 -31.062 15.025 10.636 1.00 89.44 H +ATOM 2249 C SER A 142 -28.964 15.221 10.509 1.00 89.44 C +ATOM 2250 CB SER A 142 -30.232 13.096 10.959 1.00 89.44 C +ATOM 2251 HB2 SER A 142 -31.191 12.598 10.818 1.00 89.44 H +ATOM 2252 HB3 SER A 142 -30.090 13.277 12.024 1.00 89.44 H +ATOM 2253 O SER A 142 -28.757 15.627 11.650 1.00 89.44 O +ATOM 2254 OG SER A 142 -29.198 12.258 10.481 1.00 89.44 O +ATOM 2255 HG SER A 142 -29.435 11.965 9.598 1.00 89.44 H +ATOM 2256 N GLY A 143 -28.070 15.385 9.528 1.00 85.44 N +ATOM 2257 H GLY A 143 -28.276 15.011 8.613 1.00 85.44 H +ATOM 2258 CA GLY A 143 -26.737 15.969 9.725 1.00 85.44 C +ATOM 2259 HA2 GLY A 143 -26.837 16.920 10.248 1.00 85.44 H +ATOM 2260 HA3 GLY A 143 -26.286 16.154 8.750 1.00 85.44 H +ATOM 2261 C GLY A 143 -25.779 15.082 10.532 1.00 85.44 C +ATOM 2262 O GLY A 143 -24.604 15.417 10.674 1.00 85.44 O +ATOM 2263 N LYS A 144 -26.246 13.932 11.038 1.00 90.19 N +ATOM 2264 H LYS A 144 -27.215 13.702 10.869 1.00 90.19 H +ATOM 2265 CA LYS A 144 -25.439 13.009 11.839 1.00 90.19 C +ATOM 2266 HA LYS A 144 -24.953 13.580 12.630 1.00 90.19 H +ATOM 2267 C LYS A 144 -24.344 12.373 10.995 1.00 90.19 C +ATOM 2268 CB LYS A 144 -26.317 11.932 12.487 1.00 90.19 C +ATOM 2269 HB2 LYS A 144 -25.668 11.219 12.995 1.00 90.19 H +ATOM 2270 HB3 LYS A 144 -26.878 11.400 11.719 1.00 90.19 H +ATOM 2271 O LYS A 144 -24.566 12.009 9.839 1.00 90.19 O +ATOM 2272 CG LYS A 144 -27.280 12.537 13.516 1.00 90.19 C +ATOM 2273 HG2 LYS A 144 -26.710 13.129 14.231 1.00 90.19 H +ATOM 2274 HG3 LYS A 144 -28.003 13.183 13.018 1.00 90.19 H +ATOM 2275 CD LYS A 144 -28.014 11.423 14.263 1.00 90.19 C +ATOM 2276 HD2 LYS A 144 -27.270 10.783 14.738 1.00 90.19 H +ATOM 2277 HD3 LYS A 144 -28.604 10.835 13.561 1.00 90.19 H +ATOM 2278 CE LYS A 144 -28.917 12.039 15.332 1.00 90.19 C +ATOM 2279 HE2 LYS A 144 -29.745 12.555 14.847 1.00 90.19 H +ATOM 2280 HE3 LYS A 144 -28.332 12.778 15.880 1.00 90.19 H +ATOM 2281 NZ LYS A 144 -29.402 10.998 16.267 1.00 90.19 N +ATOM 2282 HZ1 LYS A 144 -28.601 10.559 16.699 1.00 90.19 H +ATOM 2283 HZ2 LYS A 144 -29.963 11.412 16.998 1.00 90.19 H +ATOM 2284 HZ3 LYS A 144 -29.932 10.292 15.776 1.00 90.19 H +ATOM 2285 N LYS A 145 -23.156 12.201 11.575 1.00 91.19 N +ATOM 2286 H LYS A 145 -23.062 12.463 12.546 1.00 91.19 H +ATOM 2287 CA LYS A 145 -22.046 11.500 10.916 1.00 91.19 C +ATOM 2288 HA LYS A 145 -21.874 11.943 9.935 1.00 91.19 H +ATOM 2289 C LYS A 145 -22.445 10.038 10.699 1.00 91.19 C +ATOM 2290 CB LYS A 145 -20.752 11.650 11.738 1.00 91.19 C +ATOM 2291 HB2 LYS A 145 -19.974 11.034 11.286 1.00 91.19 H +ATOM 2292 HB3 LYS A 145 -20.927 11.287 12.751 1.00 91.19 H +ATOM 2293 O LYS A 145 -22.883 9.361 11.620 1.00 91.19 O +ATOM 2294 CG LYS A 145 -20.253 13.109 11.790 1.00 91.19 C +ATOM 2295 HG2 LYS A 145 -20.017 13.447 10.781 1.00 91.19 H +ATOM 2296 HG3 LYS A 145 -21.036 13.747 12.200 1.00 91.19 H +ATOM 2297 CD LYS A 145 -19.002 13.245 12.671 1.00 91.19 C +ATOM 2298 HD2 LYS A 145 -19.253 12.859 13.660 1.00 91.19 H +ATOM 2299 HD3 LYS A 145 -18.186 12.649 12.263 1.00 91.19 H +ATOM 2300 CE LYS A 145 -18.549 14.704 12.834 1.00 91.19 C +ATOM 2301 HE2 LYS A 145 -19.418 15.311 13.090 1.00 91.19 H +ATOM 2302 HE3 LYS A 145 -18.146 15.064 11.888 1.00 91.19 H +ATOM 2303 NZ LYS A 145 -17.533 14.839 13.910 1.00 91.19 N +ATOM 2304 HZ1 LYS A 145 -17.251 15.795 14.075 1.00 91.19 H +ATOM 2305 HZ2 LYS A 145 -16.709 14.291 13.708 1.00 91.19 H +ATOM 2306 HZ3 LYS A 145 -17.889 14.478 14.784 1.00 91.19 H +ATOM 2307 N ARG A 146 -22.274 9.526 9.479 1.00 93.25 N +ATOM 2308 H ARG A 146 -21.861 10.125 8.778 1.00 93.25 H +ATOM 2309 CA ARG A 146 -22.641 8.149 9.093 1.00 93.25 C +ATOM 2310 HA ARG A 146 -23.602 7.912 9.549 1.00 93.25 H +ATOM 2311 C ARG A 146 -21.674 7.086 9.629 1.00 93.25 C +ATOM 2312 CB ARG A 146 -22.771 8.039 7.565 1.00 93.25 C +ATOM 2313 HB2 ARG A 146 -22.990 6.999 7.321 1.00 93.25 H +ATOM 2314 HB3 ARG A 146 -21.823 8.312 7.102 1.00 93.25 H +ATOM 2315 O ARG A 146 -21.825 5.916 9.291 1.00 93.25 O +ATOM 2316 CG ARG A 146 -23.896 8.907 6.990 1.00 93.25 C +ATOM 2317 HG2 ARG A 146 -24.847 8.624 7.441 1.00 93.25 H +ATOM 2318 HG3 ARG A 146 -23.691 9.947 7.242 1.00 93.25 H +ATOM 2319 CD ARG A 146 -23.995 8.787 5.464 1.00 93.25 C +ATOM 2320 HD2 ARG A 146 -23.038 9.083 5.035 1.00 93.25 H +ATOM 2321 HD3 ARG A 146 -24.761 9.482 5.119 1.00 93.25 H +ATOM 2322 NE ARG A 146 -24.345 7.413 5.043 1.00 93.25 N +ATOM 2323 HE ARG A 146 -24.608 6.782 5.786 1.00 93.25 H +ATOM 2324 NH1 ARG A 146 -24.056 7.706 2.794 1.00 93.25 N +ATOM 2325 HH11 ARG A 146 -23.894 8.683 2.988 1.00 93.25 H +ATOM 2326 HH12 ARG A 146 -24.026 7.338 1.854 1.00 93.25 H +ATOM 2327 NH2 ARG A 146 -24.551 5.673 3.591 1.00 93.25 N +ATOM 2328 HH21 ARG A 146 -24.743 5.063 4.373 1.00 93.25 H +ATOM 2329 HH22 ARG A 146 -24.503 5.293 2.657 1.00 93.25 H +ATOM 2330 CZ ARG A 146 -24.320 6.937 3.814 1.00 93.25 C +ATOM 2331 N GLY A 147 -20.670 7.489 10.407 1.00 94.06 N +ATOM 2332 H GLY A 147 -20.671 8.453 10.708 1.00 94.06 H +ATOM 2333 CA GLY A 147 -19.655 6.604 10.978 1.00 94.06 C +ATOM 2334 HA2 GLY A 147 -19.169 7.147 11.789 1.00 94.06 H +ATOM 2335 HA3 GLY A 147 -20.127 5.715 11.395 1.00 94.06 H +ATOM 2336 C GLY A 147 -18.566 6.163 9.996 1.00 94.06 C +ATOM 2337 O GLY A 147 -17.893 5.157 10.225 1.00 94.06 O +ATOM 2338 N PHE A 148 -18.400 6.885 8.885 1.00 95.81 N +ATOM 2339 H PHE A 148 -18.960 7.714 8.746 1.00 95.81 H +ATOM 2340 CA PHE A 148 -17.299 6.664 7.955 1.00 95.81 C +ATOM 2341 HA PHE A 148 -16.451 6.298 8.533 1.00 95.81 H +ATOM 2342 C PHE A 148 -16.851 7.956 7.272 1.00 95.81 C +ATOM 2343 CB PHE A 148 -17.658 5.586 6.927 1.00 95.81 C +ATOM 2344 HB2 PHE A 148 -18.003 4.694 7.450 1.00 95.81 H +ATOM 2345 HB3 PHE A 148 -16.746 5.305 6.399 1.00 95.81 H +ATOM 2346 O PHE A 148 -17.618 8.915 7.138 1.00 95.81 O +ATOM 2347 CG PHE A 148 -18.699 5.989 5.904 1.00 95.81 C +ATOM 2348 CD1 PHE A 148 -20.066 5.881 6.209 1.00 95.81 C +ATOM 2349 HD1 PHE A 148 -20.368 5.540 7.189 1.00 95.81 H +ATOM 2350 CD2 PHE A 148 -18.301 6.403 4.620 1.00 95.81 C +ATOM 2351 HD2 PHE A 148 -17.252 6.477 4.376 1.00 95.81 H +ATOM 2352 CE1 PHE A 148 -21.033 6.186 5.238 1.00 95.81 C +ATOM 2353 HE1 PHE A 148 -22.078 6.066 5.482 1.00 95.81 H +ATOM 2354 CE2 PHE A 148 -19.272 6.653 3.638 1.00 95.81 C +ATOM 2355 HE2 PHE A 148 -18.958 6.894 2.633 1.00 95.81 H +ATOM 2356 CZ PHE A 148 -20.638 6.581 3.950 1.00 95.81 C +ATOM 2357 HZ PHE A 148 -21.374 6.788 3.188 1.00 95.81 H +ATOM 2358 N ALA A 149 -15.607 7.951 6.819 1.00 97.06 N +ATOM 2359 H ALA A 149 -15.052 7.120 6.970 1.00 97.06 H +ATOM 2360 CA ALA A 149 -14.984 9.024 6.071 1.00 97.06 C +ATOM 2361 HA ALA A 149 -15.753 9.704 5.705 1.00 97.06 H +ATOM 2362 C ALA A 149 -14.239 8.471 4.858 1.00 97.06 C +ATOM 2363 CB ALA A 149 -14.050 9.800 7.006 1.00 97.06 C +ATOM 2364 HB1 ALA A 149 -14.621 10.196 7.846 1.00 97.06 H +ATOM 2365 HB2 ALA A 149 -13.263 9.147 7.382 1.00 97.06 H +ATOM 2366 HB3 ALA A 149 -13.596 10.635 6.472 1.00 97.06 H +ATOM 2367 O ALA A 149 -13.964 7.271 4.755 1.00 97.06 O +ATOM 2368 N PHE A 150 -13.888 9.368 3.950 1.00 97.62 N +ATOM 2369 H PHE A 150 -14.175 10.327 4.086 1.00 97.62 H +ATOM 2370 CA PHE A 150 -12.899 9.103 2.929 1.00 97.62 C +ATOM 2371 HA PHE A 150 -12.528 8.086 3.054 1.00 97.62 H +ATOM 2372 C PHE A 150 -11.715 10.045 3.071 1.00 97.62 C +ATOM 2373 CB PHE A 150 -13.503 9.222 1.541 1.00 97.62 C +ATOM 2374 HB2 PHE A 150 -13.834 10.247 1.372 1.00 97.62 H +ATOM 2375 HB3 PHE A 150 -12.675 9.007 0.866 1.00 97.62 H +ATOM 2376 O PHE A 150 -11.891 11.222 3.370 1.00 97.62 O +ATOM 2377 CG PHE A 150 -14.628 8.261 1.225 1.00 97.62 C +ATOM 2378 CD1 PHE A 150 -14.327 6.971 0.751 1.00 97.62 C +ATOM 2379 HD1 PHE A 150 -13.297 6.659 0.660 1.00 97.62 H +ATOM 2380 CD2 PHE A 150 -15.968 8.666 1.353 1.00 97.62 C +ATOM 2381 HD2 PHE A 150 -16.197 9.661 1.705 1.00 97.62 H +ATOM 2382 CE1 PHE A 150 -15.361 6.083 0.411 1.00 97.62 C +ATOM 2383 HE1 PHE A 150 -15.126 5.092 0.052 1.00 97.62 H +ATOM 2384 CE2 PHE A 150 -17.002 7.783 0.999 1.00 97.62 C +ATOM 2385 HE2 PHE A 150 -18.026 8.121 1.061 1.00 97.62 H +ATOM 2386 CZ PHE A 150 -16.701 6.487 0.540 1.00 97.62 C +ATOM 2387 HZ PHE A 150 -17.496 5.806 0.271 1.00 97.62 H +ATOM 2388 N VAL A 151 -10.521 9.531 2.802 1.00 98.06 N +ATOM 2389 H VAL A 151 -10.460 8.556 2.543 1.00 98.06 H +ATOM 2390 CA VAL A 151 -9.286 10.321 2.779 1.00 98.06 C +ATOM 2391 HA VAL A 151 -9.522 11.381 2.866 1.00 98.06 H +ATOM 2392 C VAL A 151 -8.618 10.094 1.432 1.00 98.06 C +ATOM 2393 CB VAL A 151 -8.357 9.961 3.954 1.00 98.06 C +ATOM 2394 HB VAL A 151 -8.041 8.923 3.849 1.00 98.06 H +ATOM 2395 O VAL A 151 -8.440 8.949 1.020 1.00 98.06 O +ATOM 2396 CG1 VAL A 151 -7.094 10.824 3.962 1.00 98.06 C +ATOM 2397 HG11 VAL A 151 -7.357 11.881 4.013 1.00 98.06 H +ATOM 2398 HG12 VAL A 151 -6.503 10.647 3.064 1.00 98.06 H +ATOM 2399 HG13 VAL A 151 -6.474 10.570 4.822 1.00 98.06 H +ATOM 2400 CG2 VAL A 151 -9.066 10.100 5.308 1.00 98.06 C +ATOM 2401 HG21 VAL A 151 -9.899 9.399 5.379 1.00 98.06 H +ATOM 2402 HG22 VAL A 151 -9.434 11.118 5.432 1.00 98.06 H +ATOM 2403 HG23 VAL A 151 -8.365 9.876 6.112 1.00 98.06 H +ATOM 2404 N THR A 152 -8.306 11.175 0.727 1.00 97.94 N +ATOM 2405 H THR A 152 -8.456 12.077 1.157 1.00 97.94 H +ATOM 2406 CA THR A 152 -7.629 11.165 -0.573 1.00 97.94 C +ATOM 2407 HA THR A 152 -7.577 10.144 -0.950 1.00 97.94 H +ATOM 2408 C THR A 152 -6.209 11.678 -0.388 1.00 97.94 C +ATOM 2409 CB THR A 152 -8.379 12.006 -1.617 1.00 97.94 C +ATOM 2410 HB THR A 152 -8.298 13.062 -1.358 1.00 97.94 H +ATOM 2411 O THR A 152 -6.019 12.750 0.183 1.00 97.94 O +ATOM 2412 CG2 THR A 152 -7.830 11.798 -3.026 1.00 97.94 C +ATOM 2413 HG21 THR A 152 -8.425 12.371 -3.737 1.00 97.94 H +ATOM 2414 HG22 THR A 152 -6.803 12.159 -3.084 1.00 97.94 H +ATOM 2415 HG23 THR A 152 -7.856 10.741 -3.291 1.00 97.94 H +ATOM 2416 OG1 THR A 152 -9.751 11.649 -1.627 1.00 97.94 O +ATOM 2417 HG1 THR A 152 -10.124 12.118 -0.877 1.00 97.94 H +ATOM 2418 N PHE A 153 -5.235 10.910 -0.857 1.00 98.44 N +ATOM 2419 H PHE A 153 -5.490 10.059 -1.338 1.00 98.44 H +ATOM 2420 CA PHE A 153 -3.809 11.216 -0.837 1.00 98.44 C +ATOM 2421 HA PHE A 153 -3.609 12.024 -0.133 1.00 98.44 H +ATOM 2422 C PHE A 153 -3.328 11.669 -2.213 1.00 98.44 C +ATOM 2423 CB PHE A 153 -3.031 9.976 -0.383 1.00 98.44 C +ATOM 2424 HB2 PHE A 153 -3.276 9.139 -1.037 1.00 98.44 H +ATOM 2425 HB3 PHE A 153 -1.963 10.168 -0.490 1.00 98.44 H +ATOM 2426 O PHE A 153 -3.971 11.406 -3.228 1.00 98.44 O +ATOM 2427 CG PHE A 153 -3.300 9.586 1.051 1.00 98.44 C +ATOM 2428 CD1 PHE A 153 -2.489 10.100 2.079 1.00 98.44 C +ATOM 2429 HD1 PHE A 153 -1.681 10.779 1.849 1.00 98.44 H +ATOM 2430 CD2 PHE A 153 -4.362 8.716 1.356 1.00 98.44 C +ATOM 2431 HD2 PHE A 153 -4.989 8.333 0.565 1.00 98.44 H +ATOM 2432 CE1 PHE A 153 -2.723 9.723 3.411 1.00 98.44 C +ATOM 2433 HE1 PHE A 153 -2.089 10.106 4.197 1.00 98.44 H +ATOM 2434 CE2 PHE A 153 -4.596 8.345 2.687 1.00 98.44 C +ATOM 2435 HE2 PHE A 153 -5.393 7.657 2.928 1.00 98.44 H +ATOM 2436 CZ PHE A 153 -3.776 8.844 3.709 1.00 98.44 C +ATOM 2437 HZ PHE A 153 -3.942 8.520 4.726 1.00 98.44 H +ATOM 2438 N ASP A 154 -2.164 12.301 -2.253 1.00 97.38 N +ATOM 2439 H ASP A 154 -1.658 12.472 -1.396 1.00 97.38 H +ATOM 2440 CA ASP A 154 -1.490 12.653 -3.501 1.00 97.38 C +ATOM 2441 HA ASP A 154 -2.223 13.094 -4.177 1.00 97.38 H +ATOM 2442 C ASP A 154 -0.882 11.433 -4.218 1.00 97.38 C +ATOM 2443 CB ASP A 154 -0.435 13.724 -3.208 1.00 97.38 C +ATOM 2444 HB2 ASP A 154 -0.917 14.566 -2.713 1.00 97.38 H +ATOM 2445 HB3 ASP A 154 -0.047 14.084 -4.161 1.00 97.38 H +ATOM 2446 O ASP A 154 -0.800 11.413 -5.451 1.00 97.38 O +ATOM 2447 CG ASP A 154 0.745 13.258 -2.345 1.00 97.38 C +ATOM 2448 OD1 ASP A 154 0.614 12.255 -1.601 1.00 97.38 O +ATOM 2449 OD2 ASP A 154 1.763 13.985 -2.391 1.00 97.38 O +ATOM 2450 N ASP A 155 -0.525 10.386 -3.473 1.00 97.12 N +ATOM 2451 H ASP A 155 -0.472 10.559 -2.479 1.00 97.12 H +ATOM 2452 CA ASP A 155 0.055 9.141 -3.977 1.00 97.12 C +ATOM 2453 HA ASP A 155 0.000 9.158 -5.066 1.00 97.12 H +ATOM 2454 C ASP A 155 -0.704 7.884 -3.513 1.00 97.12 C +ATOM 2455 CB ASP A 155 1.545 9.085 -3.616 1.00 97.12 C +ATOM 2456 HB2 ASP A 155 2.026 10.008 -3.939 1.00 97.12 H +ATOM 2457 HB3 ASP A 155 1.645 9.004 -2.534 1.00 97.12 H +ATOM 2458 O ASP A 155 -1.308 7.830 -2.440 1.00 97.12 O +ATOM 2459 CG ASP A 155 2.262 7.908 -4.285 1.00 97.12 C +ATOM 2460 OD1 ASP A 155 1.839 7.431 -5.369 1.00 97.12 O +ATOM 2461 OD2 ASP A 155 3.213 7.374 -3.693 1.00 97.12 O +ATOM 2462 N HIS A 156 -0.675 6.840 -4.345 1.00 96.94 N +ATOM 2463 H HIS A 156 -0.010 6.887 -5.104 1.00 96.94 H +ATOM 2464 CA HIS A 156 -1.315 5.560 -4.044 1.00 96.94 C +ATOM 2465 HA HIS A 156 -2.268 5.762 -3.555 1.00 96.94 H +ATOM 2466 C HIS A 156 -0.499 4.694 -3.069 1.00 96.94 C +ATOM 2467 CB HIS A 156 -1.617 4.805 -5.344 1.00 96.94 C +ATOM 2468 HB2 HIS A 156 -2.125 5.472 -6.040 1.00 96.94 H +ATOM 2469 HB3 HIS A 156 -2.300 3.988 -5.110 1.00 96.94 H +ATOM 2470 O HIS A 156 -1.078 3.813 -2.435 1.00 96.94 O +ATOM 2471 CG HIS A 156 -0.399 4.211 -6.009 1.00 96.94 C +ATOM 2472 CD2 HIS A 156 0.274 4.720 -7.087 1.00 96.94 C +ATOM 2473 HD2 HIS A 156 0.044 5.640 -7.604 1.00 96.94 H +ATOM 2474 ND1 HIS A 156 0.220 3.027 -5.662 1.00 96.94 N +ATOM 2475 HD1 HIS A 156 -0.000 2.436 -4.873 1.00 96.94 H +ATOM 2476 CE1 HIS A 156 1.238 2.830 -6.516 1.00 96.94 C +ATOM 2477 HE1 HIS A 156 1.919 1.991 -6.485 1.00 96.94 H +ATOM 2478 NE2 HIS A 156 1.295 3.823 -7.420 1.00 96.94 N +ATOM 2479 N ASP A 157 0.816 4.921 -2.918 1.00 97.06 N +ATOM 2480 H ASP A 157 1.261 5.658 -3.447 1.00 97.06 H +ATOM 2481 CA ASP A 157 1.640 4.177 -1.948 1.00 97.06 C +ATOM 2482 HA ASP A 157 1.551 3.110 -2.152 1.00 97.06 H +ATOM 2483 C ASP A 157 1.157 4.414 -0.513 1.00 97.06 C +ATOM 2484 CB ASP A 157 3.122 4.563 -2.075 1.00 97.06 C +ATOM 2485 HB2 ASP A 157 3.453 4.383 -3.098 1.00 97.06 H +ATOM 2486 HB3 ASP A 157 3.228 5.625 -1.854 1.00 97.06 H +ATOM 2487 O ASP A 157 1.039 3.465 0.260 1.00 97.06 O +ATOM 2488 CG ASP A 157 4.018 3.769 -1.109 1.00 97.06 C +ATOM 2489 OD1 ASP A 157 3.985 2.516 -1.136 1.00 97.06 O +ATOM 2490 OD2 ASP A 157 4.753 4.382 -0.303 1.00 97.06 O +ATOM 2491 N SER A 158 0.770 5.652 -0.185 1.00 97.06 N +ATOM 2492 H SER A 158 0.969 6.409 -0.823 1.00 97.06 H +ATOM 2493 CA SER A 158 0.164 6.016 1.103 1.00 97.06 C +ATOM 2494 HA SER A 158 0.900 5.890 1.896 1.00 97.06 H +ATOM 2495 C SER A 158 -1.051 5.138 1.413 1.00 97.06 C +ATOM 2496 CB SER A 158 -0.272 7.488 1.072 1.00 97.06 C +ATOM 2497 HB2 SER A 158 -1.145 7.595 0.428 1.00 97.06 H +ATOM 2498 HB3 SER A 158 -0.529 7.818 2.079 1.00 97.06 H +ATOM 2499 O SER A 158 -1.191 4.612 2.515 1.00 97.06 O +ATOM 2500 OG SER A 158 0.770 8.290 0.553 1.00 97.06 O +ATOM 2501 HG SER A 158 0.418 9.127 0.243 1.00 97.06 H +ATOM 2502 N VAL A 159 -1.905 4.901 0.412 1.00 97.06 N +ATOM 2503 H VAL A 159 -1.681 5.286 -0.495 1.00 97.06 H +ATOM 2504 CA VAL A 159 -3.077 4.028 0.543 1.00 97.06 C +ATOM 2505 HA VAL A 159 -3.649 4.347 1.415 1.00 97.06 H +ATOM 2506 C VAL A 159 -2.673 2.576 0.782 1.00 97.06 C +ATOM 2507 CB VAL A 159 -3.978 4.135 -0.699 1.00 97.06 C +ATOM 2508 HB VAL A 159 -3.406 3.909 -1.599 1.00 97.06 H +ATOM 2509 O VAL A 159 -3.236 1.918 1.661 1.00 97.06 O +ATOM 2510 CG1 VAL A 159 -5.124 3.115 -0.638 1.00 97.06 C +ATOM 2511 HG11 VAL A 159 -4.766 2.170 -1.046 1.00 97.06 H +ATOM 2512 HG12 VAL A 159 -5.424 2.947 0.396 1.00 97.06 H +ATOM 2513 HG13 VAL A 159 -5.980 3.457 -1.219 1.00 97.06 H +ATOM 2514 CG2 VAL A 159 -4.512 5.563 -0.843 1.00 97.06 C +ATOM 2515 HG21 VAL A 159 -3.711 6.219 -1.185 1.00 97.06 H +ATOM 2516 HG22 VAL A 159 -4.878 5.941 0.111 1.00 97.06 H +ATOM 2517 HG23 VAL A 159 -5.313 5.579 -1.582 1.00 97.06 H +ATOM 2518 N ASP A 160 -1.706 2.069 0.021 1.00 95.81 N +ATOM 2519 H ASP A 160 -1.266 2.666 -0.665 1.00 95.81 H +ATOM 2520 CA ASP A 160 -1.231 0.695 0.161 1.00 95.81 C +ATOM 2521 HA ASP A 160 -2.084 0.021 0.091 1.00 95.81 H +ATOM 2522 C ASP A 160 -0.591 0.456 1.544 1.00 95.81 C +ATOM 2523 CB ASP A 160 -0.260 0.354 -0.983 1.00 95.81 C +ATOM 2524 HB2 ASP A 160 0.188 -0.609 -0.739 1.00 95.81 H +ATOM 2525 HB3 ASP A 160 0.537 1.097 -1.025 1.00 95.81 H +ATOM 2526 O ASP A 160 -0.898 -0.553 2.186 1.00 95.81 O +ATOM 2527 CG ASP A 160 -0.909 0.205 -2.370 1.00 95.81 C +ATOM 2528 OD1 ASP A 160 -2.097 -0.200 -2.442 1.00 95.81 O +ATOM 2529 OD2 ASP A 160 -0.199 0.385 -3.387 1.00 95.81 O +ATOM 2530 N LYS A 161 0.222 1.399 2.048 1.00 95.06 N +ATOM 2531 H LYS A 161 0.421 2.197 1.461 1.00 95.06 H +ATOM 2532 CA LYS A 161 0.812 1.371 3.404 1.00 95.06 C +ATOM 2533 HA LYS A 161 1.491 0.523 3.497 1.00 95.06 H +ATOM 2534 C LYS A 161 -0.254 1.198 4.477 1.00 95.06 C +ATOM 2535 CB LYS A 161 1.572 2.682 3.688 1.00 95.06 C +ATOM 2536 HB2 LYS A 161 1.750 2.763 4.760 1.00 95.06 H +ATOM 2537 HB3 LYS A 161 0.971 3.536 3.377 1.00 95.06 H +ATOM 2538 O LYS A 161 -0.158 0.301 5.315 1.00 95.06 O +ATOM 2539 CG LYS A 161 2.925 2.738 2.990 1.00 95.06 C +ATOM 2540 HG2 LYS A 161 3.555 1.959 3.419 1.00 95.06 H +ATOM 2541 HG3 LYS A 161 2.783 2.542 1.927 1.00 95.06 H +ATOM 2542 CD LYS A 161 3.621 4.100 3.137 1.00 95.06 C +ATOM 2543 HD2 LYS A 161 3.103 4.839 2.526 1.00 95.06 H +ATOM 2544 HD3 LYS A 161 3.643 4.422 4.178 1.00 95.06 H +ATOM 2545 CE LYS A 161 5.041 3.887 2.624 1.00 95.06 C +ATOM 2546 HE2 LYS A 161 5.618 3.335 3.366 1.00 95.06 H +ATOM 2547 HE3 LYS A 161 4.943 3.278 1.726 1.00 95.06 H +ATOM 2548 NZ LYS A 161 5.779 5.094 2.216 1.00 95.06 N +ATOM 2549 HZ1 LYS A 161 5.477 5.331 1.282 1.00 95.06 H +ATOM 2550 HZ2 LYS A 161 5.652 5.868 2.853 1.00 95.06 H +ATOM 2551 HZ3 LYS A 161 6.754 4.838 2.161 1.00 95.06 H +ATOM 2552 N ILE A 162 -1.281 2.040 4.415 1.00 95.50 N +ATOM 2553 H ILE A 162 -1.260 2.752 3.700 1.00 95.50 H +ATOM 2554 CA ILE A 162 -2.366 2.060 5.392 1.00 95.50 C +ATOM 2555 HA ILE A 162 -1.941 2.158 6.391 1.00 95.50 H +ATOM 2556 C ILE A 162 -3.127 0.730 5.349 1.00 95.50 C +ATOM 2557 CB ILE A 162 -3.260 3.286 5.120 1.00 95.50 C +ATOM 2558 HB ILE A 162 -3.571 3.267 4.076 1.00 95.50 H +ATOM 2559 O ILE A 162 -3.250 0.049 6.360 1.00 95.50 O +ATOM 2560 CG1 ILE A 162 -2.488 4.593 5.400 1.00 95.50 C +ATOM 2561 HG12 ILE A 162 -1.474 4.527 5.005 1.00 95.50 H +ATOM 2562 HG13 ILE A 162 -2.399 4.741 6.476 1.00 95.50 H +ATOM 2563 CG2 ILE A 162 -4.507 3.270 6.005 1.00 95.50 C +ATOM 2564 HG21 ILE A 162 -5.122 4.141 5.779 1.00 95.50 H +ATOM 2565 HG22 ILE A 162 -5.087 2.362 5.839 1.00 95.50 H +ATOM 2566 HG23 ILE A 162 -4.216 3.314 7.054 1.00 95.50 H +ATOM 2567 CD1 ILE A 162 -3.143 5.827 4.777 1.00 95.50 C +ATOM 2568 HD11 ILE A 162 -2.473 6.677 4.902 1.00 95.50 H +ATOM 2569 HD12 ILE A 162 -4.088 6.051 5.271 1.00 95.50 H +ATOM 2570 HD13 ILE A 162 -3.320 5.667 3.713 1.00 95.50 H +ATOM 2571 N VAL A 163 -3.566 0.287 4.169 1.00 94.31 N +ATOM 2572 H VAL A 163 -3.370 0.840 3.347 1.00 94.31 H +ATOM 2573 CA VAL A 163 -4.382 -0.935 4.044 1.00 94.31 C +ATOM 2574 HA VAL A 163 -5.236 -0.838 4.714 1.00 94.31 H +ATOM 2575 C VAL A 163 -3.630 -2.194 4.500 1.00 94.31 C +ATOM 2576 CB VAL A 163 -4.917 -1.059 2.605 1.00 94.31 C +ATOM 2577 HB VAL A 163 -4.087 -0.986 1.902 1.00 94.31 H +ATOM 2578 O VAL A 163 -4.254 -3.122 5.022 1.00 94.31 O +ATOM 2579 CG1 VAL A 163 -5.662 -2.377 2.343 1.00 94.31 C +ATOM 2580 HG11 VAL A 163 -6.095 -2.366 1.343 1.00 94.31 H +ATOM 2581 HG12 VAL A 163 -6.447 -2.512 3.087 1.00 94.31 H +ATOM 2582 HG13 VAL A 163 -4.965 -3.213 2.401 1.00 94.31 H +ATOM 2583 CG2 VAL A 163 -5.917 0.074 2.323 1.00 94.31 C +ATOM 2584 HG21 VAL A 163 -6.788 -0.025 2.970 1.00 94.31 H +ATOM 2585 HG22 VAL A 163 -6.220 0.053 1.276 1.00 94.31 H +ATOM 2586 HG23 VAL A 163 -5.459 1.045 2.514 1.00 94.31 H +ATOM 2587 N ILE A 164 -2.303 -2.234 4.355 1.00 92.62 N +ATOM 2588 H ILE A 164 -1.844 -1.449 3.916 1.00 92.62 H +ATOM 2589 CA ILE A 164 -1.474 -3.361 4.804 1.00 92.62 C +ATOM 2590 HA ILE A 164 -1.972 -4.287 4.517 1.00 92.62 H +ATOM 2591 C ILE A 164 -1.335 -3.419 6.336 1.00 92.62 C +ATOM 2592 CB ILE A 164 -0.112 -3.320 4.075 1.00 92.62 C +ATOM 2593 HB ILE A 164 0.297 -2.313 4.154 1.00 92.62 H +ATOM 2594 O ILE A 164 -1.252 -4.519 6.883 1.00 92.62 O +ATOM 2595 CG1 ILE A 164 -0.310 -3.678 2.585 1.00 92.62 C +ATOM 2596 HG12 ILE A 164 -0.558 -4.735 2.491 1.00 92.62 H +ATOM 2597 HG13 ILE A 164 -1.147 -3.113 2.177 1.00 92.62 H +ATOM 2598 CG2 ILE A 164 0.896 -4.302 4.692 1.00 92.62 C +ATOM 2599 HG21 ILE A 164 1.126 -4.000 5.713 1.00 92.62 H +ATOM 2600 HG22 ILE A 164 0.488 -5.313 4.696 1.00 92.62 H +ATOM 2601 HG23 ILE A 164 1.827 -4.287 4.126 1.00 92.62 H +ATOM 2602 CD1 ILE A 164 0.911 -3.377 1.712 1.00 92.62 C +ATOM 2603 HD11 ILE A 164 1.222 -2.341 1.852 1.00 92.62 H +ATOM 2604 HD12 ILE A 164 1.738 -4.047 1.949 1.00 92.62 H +ATOM 2605 HD13 ILE A 164 0.635 -3.531 0.669 1.00 92.62 H +ATOM 2606 N GLN A 165 -1.360 -2.285 7.047 1.00 90.31 N +ATOM 2607 H GLN A 165 -1.449 -1.406 6.557 1.00 90.31 H +ATOM 2608 CA GLN A 165 -1.234 -2.246 8.514 1.00 90.31 C +ATOM 2609 HA GLN A 165 -0.374 -2.856 8.788 1.00 90.31 H +ATOM 2610 C GLN A 165 -2.450 -2.852 9.252 1.00 90.31 C +ATOM 2611 CB GLN A 165 -0.925 -0.800 8.936 1.00 90.31 C +ATOM 2612 HB2 GLN A 165 -0.034 -0.483 8.394 1.00 90.31 H +ATOM 2613 HB3 GLN A 165 -1.752 -0.154 8.641 1.00 90.31 H +ATOM 2614 O GLN A 165 -2.329 -3.244 10.413 1.00 90.31 O +ATOM 2615 CG GLN A 165 -0.675 -0.639 10.447 1.00 90.31 C +ATOM 2616 HG2 GLN A 165 -1.619 -0.754 10.979 1.00 90.31 H +ATOM 2617 HG3 GLN A 165 0.012 -1.414 10.787 1.00 90.31 H +ATOM 2618 CD GLN A 165 -0.076 0.713 10.817 1.00 90.31 C +ATOM 2619 NE2 GLN A 165 -0.102 1.096 12.073 1.00 90.31 N +ATOM 2620 HE21 GLN A 165 -0.569 0.531 12.767 1.00 90.31 H +ATOM 2621 HE22 GLN A 165 0.324 1.989 12.279 1.00 90.31 H +ATOM 2622 OE1 GLN A 165 0.432 1.455 9.995 1.00 90.31 O +ATOM 2623 N LYS A 166 -3.591 -3.021 8.565 1.00 85.00 N +ATOM 2624 H LYS A 166 -3.576 -2.644 7.629 1.00 85.00 H +ATOM 2625 CA LYS A 166 -4.868 -3.625 9.018 1.00 85.00 C +ATOM 2626 HA LYS A 166 -5.553 -3.563 8.172 1.00 85.00 H +ATOM 2627 C LYS A 166 -5.596 -2.900 10.150 1.00 85.00 C +ATOM 2628 CB LYS A 166 -4.712 -5.118 9.383 1.00 85.00 C +ATOM 2629 HB2 LYS A 166 -4.027 -5.228 10.224 1.00 85.00 H +ATOM 2630 HB3 LYS A 166 -5.685 -5.496 9.694 1.00 85.00 H +ATOM 2631 O LYS A 166 -6.814 -2.760 10.066 1.00 85.00 O +ATOM 2632 CG LYS A 166 -4.212 -5.962 8.211 1.00 85.00 C +ATOM 2633 HG2 LYS A 166 -4.821 -5.738 7.335 1.00 85.00 H +ATOM 2634 HG3 LYS A 166 -3.179 -5.688 7.998 1.00 85.00 H +ATOM 2635 CD LYS A 166 -4.271 -7.471 8.486 1.00 85.00 C +ATOM 2636 HD2 LYS A 166 -5.305 -7.768 8.662 1.00 85.00 H +ATOM 2637 HD3 LYS A 166 -3.650 -7.726 9.345 1.00 85.00 H +ATOM 2638 CE LYS A 166 -3.727 -8.124 7.214 1.00 85.00 C +ATOM 2639 HE2 LYS A 166 -2.652 -7.958 7.156 1.00 85.00 H +ATOM 2640 HE3 LYS A 166 -4.162 -7.599 6.363 1.00 85.00 H +ATOM 2641 NZ LYS A 166 -4.046 -9.560 7.063 1.00 85.00 N +ATOM 2642 HZ1 LYS A 166 -3.470 -10.148 7.649 1.00 85.00 H +ATOM 2643 HZ2 LYS A 166 -3.884 -9.767 6.088 1.00 85.00 H +ATOM 2644 HZ3 LYS A 166 -5.033 -9.724 7.204 1.00 85.00 H +ATOM 2645 N TYR A 167 -4.893 -2.500 11.203 1.00 90.06 N +ATOM 2646 H TYR A 167 -3.892 -2.634 11.172 1.00 90.06 H +ATOM 2647 CA TYR A 167 -5.466 -1.923 12.414 1.00 90.06 C +ATOM 2648 HA TYR A 167 -6.554 -1.968 12.356 1.00 90.06 H +ATOM 2649 C TYR A 167 -5.057 -0.462 12.556 1.00 90.06 C +ATOM 2650 CB TYR A 167 -5.033 -2.728 13.645 1.00 90.06 C +ATOM 2651 HB2 TYR A 167 -3.954 -2.632 13.768 1.00 90.06 H +ATOM 2652 HB3 TYR A 167 -5.499 -2.292 14.529 1.00 90.06 H +ATOM 2653 O TYR A 167 -3.870 -0.144 12.616 1.00 90.06 O +ATOM 2654 CG TYR A 167 -5.393 -4.199 13.587 1.00 90.06 C +ATOM 2655 CD1 TYR A 167 -6.720 -4.612 13.815 1.00 90.06 C +ATOM 2656 HD1 TYR A 167 -7.485 -3.880 14.028 1.00 90.06 H +ATOM 2657 CD2 TYR A 167 -4.397 -5.152 13.295 1.00 90.06 C +ATOM 2658 HD2 TYR A 167 -3.383 -4.830 13.108 1.00 90.06 H +ATOM 2659 CE1 TYR A 167 -7.051 -5.979 13.766 1.00 90.06 C +ATOM 2660 HE1 TYR A 167 -8.070 -6.290 13.947 1.00 90.06 H +ATOM 2661 CE2 TYR A 167 -4.725 -6.519 13.241 1.00 90.06 C +ATOM 2662 HE2 TYR A 167 -3.966 -7.257 13.028 1.00 90.06 H +ATOM 2663 OH TYR A 167 -6.368 -8.254 13.429 1.00 90.06 O +ATOM 2664 HH TYR A 167 -7.279 -8.402 13.691 1.00 90.06 H +ATOM 2665 CZ TYR A 167 -6.051 -6.934 13.481 1.00 90.06 C +ATOM 2666 N HIS A 168 -6.058 0.406 12.675 1.00 94.12 N +ATOM 2667 H HIS A 168 -7.012 0.084 12.598 1.00 94.12 H +ATOM 2668 CA HIS A 168 -5.874 1.834 12.885 1.00 94.12 C +ATOM 2669 HA HIS A 168 -4.830 2.041 13.121 1.00 94.12 H +ATOM 2670 C HIS A 168 -6.725 2.286 14.064 1.00 94.12 C +ATOM 2671 CB HIS A 168 -6.231 2.583 11.602 1.00 94.12 C +ATOM 2672 HB2 HIS A 168 -6.127 3.656 11.760 1.00 94.12 H +ATOM 2673 HB3 HIS A 168 -7.266 2.360 11.345 1.00 94.12 H +ATOM 2674 O HIS A 168 -7.845 1.806 14.251 1.00 94.12 O +ATOM 2675 CG HIS A 168 -5.374 2.164 10.447 1.00 94.12 C +ATOM 2676 CD2 HIS A 168 -5.710 1.231 9.509 1.00 94.12 C +ATOM 2677 HD2 HIS A 168 -6.647 0.697 9.450 1.00 94.12 H +ATOM 2678 ND1 HIS A 168 -4.068 2.530 10.219 1.00 94.12 N +ATOM 2679 HD1 HIS A 168 -3.503 3.131 10.802 1.00 94.12 H +ATOM 2680 CE1 HIS A 168 -3.632 1.844 9.155 1.00 94.12 C +ATOM 2681 HE1 HIS A 168 -2.638 1.916 8.737 1.00 94.12 H +ATOM 2682 NE2 HIS A 168 -4.605 1.043 8.688 1.00 94.12 N +ATOM 2683 N THR A 169 -6.188 3.201 14.864 1.00 95.00 N +ATOM 2684 H THR A 169 -5.284 3.585 14.628 1.00 95.00 H +ATOM 2685 CA THR A 169 -6.906 3.801 15.988 1.00 95.00 C +ATOM 2686 HA THR A 169 -7.948 3.485 15.960 1.00 95.00 H +ATOM 2687 C THR A 169 -6.852 5.308 15.825 1.00 95.00 C +ATOM 2688 CB THR A 169 -6.337 3.362 17.344 1.00 95.00 C +ATOM 2689 HB THR A 169 -5.297 3.677 17.424 1.00 95.00 H +ATOM 2690 O THR A 169 -5.783 5.900 15.939 1.00 95.00 O +ATOM 2691 CG2 THR A 169 -7.136 3.936 18.516 1.00 95.00 C +ATOM 2692 HG21 THR A 169 -7.074 5.024 18.515 1.00 95.00 H +ATOM 2693 HG22 THR A 169 -6.725 3.570 19.457 1.00 95.00 H +ATOM 2694 HG23 THR A 169 -8.180 3.634 18.438 1.00 95.00 H +ATOM 2695 OG1 THR A 169 -6.404 1.957 17.473 1.00 95.00 O +ATOM 2696 HG1 THR A 169 -5.898 1.727 18.255 1.00 95.00 H +ATOM 2697 N VAL A 170 -8.004 5.919 15.559 1.00 94.69 N +ATOM 2698 H VAL A 170 -8.847 5.364 15.559 1.00 94.69 H +ATOM 2699 CA VAL A 170 -8.152 7.366 15.364 1.00 94.69 C +ATOM 2700 HA VAL A 170 -7.182 7.853 15.462 1.00 94.69 H +ATOM 2701 C VAL A 170 -9.074 7.897 16.449 1.00 94.69 C +ATOM 2702 CB VAL A 170 -8.704 7.696 13.966 1.00 94.69 C +ATOM 2703 HB VAL A 170 -9.672 7.213 13.831 1.00 94.69 H +ATOM 2704 O VAL A 170 -10.156 7.350 16.657 1.00 94.69 O +ATOM 2705 CG1 VAL A 170 -8.880 9.211 13.802 1.00 94.69 C +ATOM 2706 HG11 VAL A 170 -9.630 9.591 14.495 1.00 94.69 H +ATOM 2707 HG12 VAL A 170 -7.932 9.720 13.977 1.00 94.69 H +ATOM 2708 HG13 VAL A 170 -9.219 9.444 12.792 1.00 94.69 H +ATOM 2709 CG2 VAL A 170 -7.757 7.209 12.865 1.00 94.69 C +ATOM 2710 HG21 VAL A 170 -7.599 6.133 12.937 1.00 94.69 H +ATOM 2711 HG22 VAL A 170 -6.795 7.709 12.975 1.00 94.69 H +ATOM 2712 HG23 VAL A 170 -8.167 7.443 11.882 1.00 94.69 H +ATOM 2713 N ASN A 171 -8.647 8.949 17.151 1.00 94.06 N +ATOM 2714 H ASN A 171 -7.770 9.379 16.895 1.00 94.06 H +ATOM 2715 CA ASN A 171 -9.403 9.538 18.262 1.00 94.06 C +ATOM 2716 HA ASN A 171 -8.737 10.236 18.769 1.00 94.06 H +ATOM 2717 C ASN A 171 -9.828 8.503 19.334 1.00 94.06 C +ATOM 2718 CB ASN A 171 -10.576 10.356 17.687 1.00 94.06 C +ATOM 2719 HB2 ASN A 171 -11.340 9.682 17.299 1.00 94.06 H +ATOM 2720 HB3 ASN A 171 -10.228 10.998 16.878 1.00 94.06 H +ATOM 2721 O ASN A 171 -10.948 8.511 19.832 1.00 94.06 O +ATOM 2722 CG ASN A 171 -11.195 11.255 18.740 1.00 94.06 C +ATOM 2723 ND2 ASN A 171 -12.462 11.572 18.618 1.00 94.06 N +ATOM 2724 HD21 ASN A 171 -12.811 12.224 19.306 1.00 94.06 H +ATOM 2725 HD22 ASN A 171 -13.053 11.162 17.909 1.00 94.06 H +ATOM 2726 OD1 ASN A 171 -10.543 11.678 19.675 1.00 94.06 O +ATOM 2727 N GLY A 172 -8.959 7.530 19.632 1.00 93.56 N +ATOM 2728 H GLY A 172 -8.050 7.556 19.192 1.00 93.56 H +ATOM 2729 CA GLY A 172 -9.257 6.451 20.585 1.00 93.56 C +ATOM 2730 HA2 GLY A 172 -9.696 6.888 21.482 1.00 93.56 H +ATOM 2731 HA3 GLY A 172 -8.324 5.963 20.867 1.00 93.56 H +ATOM 2732 C GLY A 172 -10.222 5.368 20.078 1.00 93.56 C +ATOM 2733 O GLY A 172 -10.512 4.428 20.819 1.00 93.56 O +ATOM 2734 N HIS A 173 -10.687 5.440 18.827 1.00 92.38 N +ATOM 2735 H HIS A 173 -10.454 6.247 18.267 1.00 92.38 H +ATOM 2736 CA HIS A 173 -11.592 4.451 18.235 1.00 92.38 C +ATOM 2737 HA HIS A 173 -11.950 3.787 19.022 1.00 92.38 H +ATOM 2738 C HIS A 173 -10.870 3.605 17.193 1.00 92.38 C +ATOM 2739 CB HIS A 173 -12.827 5.138 17.636 1.00 92.38 C +ATOM 2740 HB2 HIS A 173 -12.525 5.697 16.751 1.00 92.38 H +ATOM 2741 HB3 HIS A 173 -13.546 4.380 17.325 1.00 92.38 H +ATOM 2742 O HIS A 173 -10.156 4.131 16.340 1.00 92.38 O +ATOM 2743 CG HIS A 173 -13.500 6.084 18.598 1.00 92.38 C +ATOM 2744 CD2 HIS A 173 -13.567 7.433 18.420 1.00 92.38 C +ATOM 2745 HD2 HIS A 173 -13.186 7.990 17.577 1.00 92.38 H +ATOM 2746 ND1 HIS A 173 -14.005 5.759 19.870 1.00 92.38 N +ATOM 2747 CE1 HIS A 173 -14.269 6.952 20.442 1.00 92.38 C +ATOM 2748 HE1 HIS A 173 -14.601 7.107 21.458 1.00 92.38 H +ATOM 2749 NE2 HIS A 173 -14.085 7.955 19.578 1.00 92.38 N +ATOM 2750 HE2 HIS A 173 -14.266 8.929 19.772 1.00 92.38 H +ATOM 2751 N ASN A 174 -11.074 2.288 17.240 1.00 94.50 N +ATOM 2752 H ASN A 174 -11.704 1.909 17.932 1.00 94.50 H +ATOM 2753 CA ASN A 174 -10.580 1.406 16.191 1.00 94.50 C +ATOM 2754 HA ASN A 174 -9.534 1.650 16.007 1.00 94.50 H +ATOM 2755 C ASN A 174 -11.371 1.655 14.902 1.00 94.50 C +ATOM 2756 CB ASN A 174 -10.665 -0.057 16.645 1.00 94.50 C +ATOM 2757 HB2 ASN A 174 -11.709 -0.359 16.727 1.00 94.50 H +ATOM 2758 HB3 ASN A 174 -10.183 -0.169 17.617 1.00 94.50 H +ATOM 2759 O ASN A 174 -12.601 1.580 14.910 1.00 94.50 O +ATOM 2760 CG ASN A 174 -9.973 -0.976 15.656 1.00 94.50 C +ATOM 2761 ND2 ASN A 174 -8.664 -1.043 15.695 1.00 94.50 N +ATOM 2762 HD21 ASN A 174 -8.238 -1.571 14.947 1.00 94.50 H +ATOM 2763 HD22 ASN A 174 -8.140 -0.381 16.250 1.00 94.50 H +ATOM 2764 OD1 ASN A 174 -10.585 -1.637 14.838 1.00 94.50 O +ATOM 2765 N CYS A 175 -10.667 1.943 13.815 1.00 94.38 N +ATOM 2766 H CYS A 175 -9.658 1.971 13.871 1.00 94.38 H +ATOM 2767 CA CYS A 175 -11.265 2.145 12.509 1.00 94.38 C +ATOM 2768 HA CYS A 175 -12.342 2.009 12.604 1.00 94.38 H +ATOM 2769 C CYS A 175 -10.800 1.077 11.519 1.00 94.38 C +ATOM 2770 CB CYS A 175 -11.065 3.595 12.044 1.00 94.38 C +ATOM 2771 HB2 CYS A 175 -11.528 4.256 12.776 1.00 94.38 H +ATOM 2772 HB3 CYS A 175 -11.564 3.735 11.085 1.00 94.38 H +ATOM 2773 O CYS A 175 -9.665 0.594 11.538 1.00 94.38 O +ATOM 2774 SG CYS A 175 -9.315 4.034 11.878 1.00 94.38 S +ATOM 2775 HG CYS A 175 -9.480 5.348 11.701 1.00 94.38 H +ATOM 2776 N GLU A 176 -11.720 0.704 10.637 1.00 93.81 N +ATOM 2777 H GLU A 176 -12.603 1.193 10.648 1.00 93.81 H +ATOM 2778 CA GLU A 176 -11.452 -0.203 9.536 1.00 93.81 C +ATOM 2779 HA GLU A 176 -10.607 -0.841 9.795 1.00 93.81 H +ATOM 2780 C GLU A 176 -11.089 0.613 8.300 1.00 93.81 C +ATOM 2781 CB GLU A 176 -12.666 -1.108 9.288 1.00 93.81 C +ATOM 2782 HB2 GLU A 176 -12.878 -1.681 10.191 1.00 93.81 H +ATOM 2783 HB3 GLU A 176 -13.536 -0.503 9.034 1.00 93.81 H +ATOM 2784 O GLU A 176 -11.884 1.436 7.840 1.00 93.81 O +ATOM 2785 CG GLU A 176 -12.345 -2.070 8.140 1.00 93.81 C +ATOM 2786 HG2 GLU A 176 -11.419 -2.594 8.376 1.00 93.81 H +ATOM 2787 HG3 GLU A 176 -12.179 -1.501 7.225 1.00 93.81 H +ATOM 2788 CD GLU A 176 -13.433 -3.098 7.848 1.00 93.81 C +ATOM 2789 OE1 GLU A 176 -13.069 -4.090 7.173 1.00 93.81 O +ATOM 2790 OE2 GLU A 176 -14.626 -2.886 8.144 1.00 93.81 O +ATOM 2791 N VAL A 177 -9.914 0.349 7.727 1.00 94.94 N +ATOM 2792 H VAL A 177 -9.294 -0.324 8.155 1.00 94.94 H +ATOM 2793 CA VAL A 177 -9.462 1.038 6.519 1.00 94.94 C +ATOM 2794 HA VAL A 177 -10.202 1.803 6.283 1.00 94.94 H +ATOM 2795 C VAL A 177 -9.416 0.091 5.327 1.00 94.94 C +ATOM 2796 CB VAL A 177 -8.147 1.801 6.727 1.00 94.94 C +ATOM 2797 HB VAL A 177 -7.324 1.103 6.882 1.00 94.94 H +ATOM 2798 O VAL A 177 -8.923 -1.036 5.406 1.00 94.94 O +ATOM 2799 CG1 VAL A 177 -7.881 2.651 5.480 1.00 94.94 C +ATOM 2800 HG11 VAL A 177 -7.123 3.402 5.701 1.00 94.94 H +ATOM 2801 HG12 VAL A 177 -7.532 2.028 4.657 1.00 94.94 H +ATOM 2802 HG13 VAL A 177 -8.785 3.188 5.191 1.00 94.94 H +ATOM 2803 CG2 VAL A 177 -8.243 2.753 7.928 1.00 94.94 C +ATOM 2804 HG21 VAL A 177 -8.422 2.198 8.849 1.00 94.94 H +ATOM 2805 HG22 VAL A 177 -9.056 3.463 7.779 1.00 94.94 H +ATOM 2806 HG23 VAL A 177 -7.303 3.294 8.041 1.00 94.94 H +ATOM 2807 N ARG A 178 -9.960 0.550 4.198 1.00 94.06 N +ATOM 2808 H ARG A 178 -10.338 1.486 4.222 1.00 94.06 H +ATOM 2809 CA ARG A 178 -9.970 -0.173 2.919 1.00 94.06 C +ATOM 2810 HA ARG A 178 -9.168 -0.910 2.926 1.00 94.06 H +ATOM 2811 C ARG A 178 -9.698 0.786 1.765 1.00 94.06 C +ATOM 2812 CB ARG A 178 -11.320 -0.889 2.725 1.00 94.06 C +ATOM 2813 HB2 ARG A 178 -12.118 -0.147 2.737 1.00 94.06 H +ATOM 2814 HB3 ARG A 178 -11.321 -1.369 1.746 1.00 94.06 H +ATOM 2815 O ARG A 178 -9.923 1.988 1.879 1.00 94.06 O +ATOM 2816 CG ARG A 178 -11.612 -1.960 3.792 1.00 94.06 C +ATOM 2817 HG2 ARG A 178 -11.700 -1.493 4.773 1.00 94.06 H +ATOM 2818 HG3 ARG A 178 -10.800 -2.687 3.813 1.00 94.06 H +ATOM 2819 CD ARG A 178 -12.928 -2.671 3.465 1.00 94.06 C +ATOM 2820 HD2 ARG A 178 -13.725 -1.927 3.444 1.00 94.06 H +ATOM 2821 HD3 ARG A 178 -12.843 -3.123 2.477 1.00 94.06 H +ATOM 2822 NE ARG A 178 -13.269 -3.711 4.454 1.00 94.06 N +ATOM 2823 HE ARG A 178 -12.823 -3.683 5.360 1.00 94.06 H +ATOM 2824 NH1 ARG A 178 -15.093 -4.594 3.381 1.00 94.06 N +ATOM 2825 HH11 ARG A 178 -14.966 -3.907 2.652 1.00 94.06 H +ATOM 2826 HH12 ARG A 178 -15.884 -5.222 3.397 1.00 94.06 H +ATOM 2827 NH2 ARG A 178 -14.501 -5.379 5.376 1.00 94.06 N +ATOM 2828 HH21 ARG A 178 -14.004 -5.141 6.222 1.00 94.06 H +ATOM 2829 HH22 ARG A 178 -15.365 -5.894 5.466 1.00 94.06 H +ATOM 2830 CZ ARG A 178 -14.279 -4.557 4.399 1.00 94.06 C +ATOM 2831 N LYS A 179 -9.291 0.245 0.618 1.00 95.44 N +ATOM 2832 H LYS A 179 -9.130 -0.752 0.592 1.00 95.44 H +ATOM 2833 CA LYS A 179 -9.280 0.987 -0.651 1.00 95.44 C +ATOM 2834 HA LYS A 179 -8.646 1.867 -0.547 1.00 95.44 H +ATOM 2835 C LYS A 179 -10.694 1.477 -0.970 1.00 95.44 C +ATOM 2836 CB LYS A 179 -8.715 0.092 -1.768 1.00 95.44 C +ATOM 2837 HB2 LYS A 179 -9.227 -0.871 -1.775 1.00 95.44 H +ATOM 2838 HB3 LYS A 179 -8.881 0.566 -2.735 1.00 95.44 H +ATOM 2839 O LYS A 179 -11.648 0.700 -0.881 1.00 95.44 O +ATOM 2840 CG LYS A 179 -7.211 -0.116 -1.553 1.00 95.44 C +ATOM 2841 HG2 LYS A 179 -6.742 0.860 -1.427 1.00 95.44 H +ATOM 2842 HG3 LYS A 179 -7.057 -0.702 -0.647 1.00 95.44 H +ATOM 2843 CD LYS A 179 -6.525 -0.840 -2.713 1.00 95.44 C +ATOM 2844 HD2 LYS A 179 -6.884 -1.867 -2.773 1.00 95.44 H +ATOM 2845 HD3 LYS A 179 -6.739 -0.323 -3.649 1.00 95.44 H +ATOM 2846 CE LYS A 179 -5.020 -0.823 -2.436 1.00 95.44 C +ATOM 2847 HE2 LYS A 179 -4.808 -1.340 -1.499 1.00 95.44 H +ATOM 2848 HE3 LYS A 179 -4.694 0.209 -2.312 1.00 95.44 H +ATOM 2849 NZ LYS A 179 -4.226 -1.427 -3.523 1.00 95.44 N +ATOM 2850 HZ1 LYS A 179 -4.465 -1.006 -4.410 1.00 95.44 H +ATOM 2851 HZ2 LYS A 179 -4.355 -2.428 -3.561 1.00 95.44 H +ATOM 2852 HZ3 LYS A 179 -3.261 -1.199 -3.331 1.00 95.44 H +ATOM 2853 N ALA A 180 -10.844 2.758 -1.302 1.00 94.81 N +ATOM 2854 H ALA A 180 -10.034 3.356 -1.383 1.00 94.81 H +ATOM 2855 CA ALA A 180 -12.146 3.315 -1.638 1.00 94.81 C +ATOM 2856 HA ALA A 180 -12.873 2.966 -0.904 1.00 94.81 H +ATOM 2857 C ALA A 180 -12.575 2.828 -3.024 1.00 94.81 C +ATOM 2858 CB ALA A 180 -12.114 4.841 -1.565 1.00 94.81 C +ATOM 2859 HB1 ALA A 180 -11.783 5.160 -0.576 1.00 94.81 H +ATOM 2860 HB2 ALA A 180 -13.110 5.239 -1.756 1.00 94.81 H +ATOM 2861 HB3 ALA A 180 -11.431 5.226 -2.323 1.00 94.81 H +ATOM 2862 O ALA A 180 -11.957 3.159 -4.032 1.00 94.81 O +ATOM 2863 N LEU A 181 -13.655 2.054 -3.055 1.00 91.62 N +ATOM 2864 H LEU A 181 -14.090 1.802 -2.178 1.00 91.62 H +ATOM 2865 CA LEU A 181 -14.288 1.609 -4.287 1.00 91.62 C +ATOM 2866 HA LEU A 181 -13.533 1.477 -5.063 1.00 91.62 H +ATOM 2867 C LEU A 181 -15.267 2.675 -4.779 1.00 91.62 C +ATOM 2868 CB LEU A 181 -14.990 0.265 -4.041 1.00 91.62 C +ATOM 2869 HB2 LEU A 181 -15.776 0.432 -3.305 1.00 91.62 H +ATOM 2870 HB3 LEU A 181 -15.452 -0.066 -4.972 1.00 91.62 H +ATOM 2871 O LEU A 181 -15.999 3.283 -3.990 1.00 91.62 O +ATOM 2872 CG LEU A 181 -14.093 -0.857 -3.501 1.00 91.62 C +ATOM 2873 HG LEU A 181 -13.764 -0.593 -2.496 1.00 91.62 H +ATOM 2874 CD1 LEU A 181 -14.893 -2.157 -3.407 1.00 91.62 C +ATOM 2875 HD11 LEU A 181 -15.758 -2.011 -2.760 1.00 91.62 H +ATOM 2876 HD12 LEU A 181 -14.257 -2.933 -2.980 1.00 91.62 H +ATOM 2877 HD13 LEU A 181 -15.226 -2.465 -4.398 1.00 91.62 H +ATOM 2878 CD2 LEU A 181 -12.864 -1.117 -4.357 1.00 91.62 C +ATOM 2879 HD21 LEU A 181 -12.259 -1.863 -3.842 1.00 91.62 H +ATOM 2880 HD22 LEU A 181 -12.262 -0.213 -4.444 1.00 91.62 H +ATOM 2881 HD23 LEU A 181 -13.152 -1.461 -5.351 1.00 91.62 H +ATOM 2882 N SER A 182 -15.334 2.866 -6.091 1.00 88.44 N +ATOM 2883 H SER A 182 -14.708 2.344 -6.688 1.00 88.44 H +ATOM 2884 CA SER A 182 -16.401 3.641 -6.712 1.00 88.44 C +ATOM 2885 HA SER A 182 -16.383 4.641 -6.279 1.00 88.44 H +ATOM 2886 C SER A 182 -17.766 3.009 -6.422 1.00 88.44 C +ATOM 2887 CB SER A 182 -16.171 3.774 -8.220 1.00 88.44 C +ATOM 2888 HB2 SER A 182 -15.163 4.139 -8.413 1.00 88.44 H +ATOM 2889 HB3 SER A 182 -16.888 4.482 -8.637 1.00 88.44 H +ATOM 2890 O SER A 182 -17.902 1.820 -6.119 1.00 88.44 O +ATOM 2891 OG SER A 182 -16.349 2.522 -8.834 1.00 88.44 O +ATOM 2892 HG SER A 182 -15.519 2.064 -8.683 1.00 88.44 H +ATOM 2893 N LYS A 183 -18.834 3.803 -6.546 1.00 84.88 N +ATOM 2894 H LYS A 183 -18.676 4.774 -6.775 1.00 84.88 H +ATOM 2895 CA LYS A 183 -20.205 3.313 -6.333 1.00 84.88 C +ATOM 2896 HA LYS A 183 -20.273 2.934 -5.313 1.00 84.88 H +ATOM 2897 C LYS A 183 -20.554 2.124 -7.241 1.00 84.88 C +ATOM 2898 CB LYS A 183 -21.177 4.487 -6.501 1.00 84.88 C +ATOM 2899 HB2 LYS A 183 -21.188 4.803 -7.544 1.00 84.88 H +ATOM 2900 HB3 LYS A 183 -20.825 5.320 -5.891 1.00 84.88 H +ATOM 2901 O LYS A 183 -21.300 1.244 -6.821 1.00 84.88 O +ATOM 2902 CG LYS A 183 -22.602 4.128 -6.057 1.00 84.88 C +ATOM 2903 HG2 LYS A 183 -22.581 3.770 -5.028 1.00 84.88 H +ATOM 2904 HG3 LYS A 183 -23.001 3.343 -6.700 1.00 84.88 H +ATOM 2905 CD LYS A 183 -23.516 5.356 -6.148 1.00 84.88 C +ATOM 2906 HD2 LYS A 183 -23.127 6.142 -5.501 1.00 84.88 H +ATOM 2907 HD3 LYS A 183 -23.527 5.713 -7.177 1.00 84.88 H +ATOM 2908 CE LYS A 183 -24.937 4.981 -5.714 1.00 84.88 C +ATOM 2909 HE2 LYS A 183 -24.906 4.630 -4.683 1.00 84.88 H +ATOM 2910 HE3 LYS A 183 -25.279 4.154 -6.336 1.00 84.88 H +ATOM 2911 NZ LYS A 183 -25.865 6.133 -5.844 1.00 84.88 N +ATOM 2912 HZ1 LYS A 183 -25.558 6.907 -5.273 1.00 84.88 H +ATOM 2913 HZ2 LYS A 183 -25.905 6.441 -6.805 1.00 84.88 H +ATOM 2914 HZ3 LYS A 183 -26.798 5.868 -5.564 1.00 84.88 H +ATOM 2915 N GLN A 184 -20.006 2.095 -8.456 1.00 83.62 N +ATOM 2916 H GLN A 184 -19.320 2.800 -8.687 1.00 83.62 H +ATOM 2917 CA GLN A 184 -20.187 0.995 -9.404 1.00 83.62 C +ATOM 2918 HA GLN A 184 -21.243 0.729 -9.456 1.00 83.62 H +ATOM 2919 C GLN A 184 -19.427 -0.261 -8.956 1.00 83.62 C +ATOM 2920 CB GLN A 184 -19.729 1.443 -10.799 1.00 83.62 C +ATOM 2921 HB2 GLN A 184 -19.763 0.584 -11.469 1.00 83.62 H +ATOM 2922 HB3 GLN A 184 -18.697 1.790 -10.743 1.00 83.62 H +ATOM 2923 O GLN A 184 -20.005 -1.345 -8.946 1.00 83.62 O +ATOM 2924 CG GLN A 184 -20.614 2.556 -11.389 1.00 83.62 C +ATOM 2925 HG2 GLN A 184 -20.617 3.419 -10.724 1.00 83.62 H +ATOM 2926 HG3 GLN A 184 -21.636 2.189 -11.486 1.00 83.62 H +ATOM 2927 CD GLN A 184 -20.132 3.022 -12.762 1.00 83.62 C +ATOM 2928 NE2 GLN A 184 -20.805 3.963 -13.386 1.00 83.62 N +ATOM 2929 HE21 GLN A 184 -20.431 4.215 -14.290 1.00 83.62 H +ATOM 2930 HE22 GLN A 184 -21.654 4.361 -13.011 1.00 83.62 H +ATOM 2931 OE1 GLN A 184 -19.144 2.566 -13.299 1.00 83.62 O +ATOM 2932 N GLU A 185 -18.182 -0.112 -8.499 1.00 82.81 N +ATOM 2933 H GLU A 185 -17.741 0.796 -8.547 1.00 82.81 H +ATOM 2934 CA GLU A 185 -17.371 -1.220 -7.974 1.00 82.81 C +ATOM 2935 HA GLU A 185 -17.326 -2.021 -8.712 1.00 82.81 H +ATOM 2936 C GLU A 185 -17.956 -1.815 -6.688 1.00 82.81 C +ATOM 2937 CB GLU A 185 -15.946 -0.732 -7.709 1.00 82.81 C +ATOM 2938 HB2 GLU A 185 -15.408 -1.477 -7.124 1.00 82.81 H +ATOM 2939 HB3 GLU A 185 -16.017 0.183 -7.120 1.00 82.81 H +ATOM 2940 O GLU A 185 -17.935 -3.028 -6.507 1.00 82.81 O +ATOM 2941 CG GLU A 185 -15.163 -0.476 -9.005 1.00 82.81 C +ATOM 2942 HG2 GLU A 185 -15.793 0.052 -9.721 1.00 82.81 H +ATOM 2943 HG3 GLU A 185 -14.895 -1.436 -9.444 1.00 82.81 H +ATOM 2944 CD GLU A 185 -13.911 0.365 -8.740 1.00 82.81 C +ATOM 2945 OE1 GLU A 185 -12.842 0.019 -9.273 1.00 82.81 O +ATOM 2946 OE2 GLU A 185 -14.066 1.384 -8.025 1.00 82.81 O +ATOM 2947 N MET A 186 -18.545 -1.000 -5.806 1.00 82.50 N +ATOM 2948 H MET A 186 -18.467 -0.004 -5.955 1.00 82.50 H +ATOM 2949 CA MET A 186 -19.260 -1.513 -4.628 1.00 82.50 C +ATOM 2950 HA MET A 186 -18.600 -2.188 -4.083 1.00 82.50 H +ATOM 2951 C MET A 186 -20.509 -2.319 -5.013 1.00 82.50 C +ATOM 2952 CB MET A 186 -19.667 -0.365 -3.695 1.00 82.50 C +ATOM 2953 HB2 MET A 186 -20.336 -0.761 -2.931 1.00 82.50 H +ATOM 2954 HB3 MET A 186 -20.201 0.400 -4.259 1.00 82.50 H +ATOM 2955 O MET A 186 -20.812 -3.341 -4.389 1.00 82.50 O +ATOM 2956 CG MET A 186 -18.466 0.258 -2.986 1.00 82.50 C +ATOM 2957 HG2 MET A 186 -17.871 -0.543 -2.547 1.00 82.50 H +ATOM 2958 HG3 MET A 186 -17.856 0.779 -3.725 1.00 82.50 H +ATOM 2959 SD MET A 186 -18.895 1.421 -1.663 1.00 82.50 S +ATOM 2960 CE MET A 186 -19.409 2.841 -2.657 1.00 82.50 C +ATOM 2961 HE1 MET A 186 -19.571 3.698 -2.003 1.00 82.50 H +ATOM 2962 HE2 MET A 186 -18.624 3.083 -3.375 1.00 82.50 H +ATOM 2963 HE3 MET A 186 -20.334 2.600 -3.180 1.00 82.50 H +ATOM 2964 N ALA A 187 -21.244 -1.881 -6.039 1.00 81.81 N +ATOM 2965 H ALA A 187 -20.944 -1.054 -6.535 1.00 81.81 H +ATOM 2966 CA ALA A 187 -22.429 -2.587 -6.521 1.00 81.81 C +ATOM 2967 HA ALA A 187 -23.078 -2.808 -5.674 1.00 81.81 H +ATOM 2968 C ALA A 187 -22.062 -3.930 -7.177 1.00 81.81 C +ATOM 2969 CB ALA A 187 -23.198 -1.665 -7.475 1.00 81.81 C +ATOM 2970 HB1 ALA A 187 -22.587 -1.432 -8.347 1.00 81.81 H +ATOM 2971 HB2 ALA A 187 -23.461 -0.740 -6.963 1.00 81.81 H +ATOM 2972 HB3 ALA A 187 -24.109 -2.163 -7.805 1.00 81.81 H +ATOM 2973 O ALA A 187 -22.708 -4.944 -6.912 1.00 81.81 O +ATOM 2974 N SER A 188 -20.985 -3.972 -7.966 1.00 77.56 N +ATOM 2975 H SER A 188 -20.474 -3.123 -8.163 1.00 77.56 H +ATOM 2976 CA SER A 188 -20.504 -5.219 -8.568 1.00 77.56 C +ATOM 2977 HA SER A 188 -21.359 -5.738 -9.002 1.00 77.56 H +ATOM 2978 C SER A 188 -19.889 -6.162 -7.526 1.00 77.56 C +ATOM 2979 CB SER A 188 -19.537 -4.921 -9.717 1.00 77.56 C +ATOM 2980 HB2 SER A 188 -20.045 -4.306 -10.459 1.00 77.56 H +ATOM 2981 HB3 SER A 188 -19.237 -5.859 -10.185 1.00 77.56 H +ATOM 2982 O SER A 188 -20.212 -7.351 -7.521 1.00 77.56 O +ATOM 2983 OG SER A 188 -18.392 -4.241 -9.255 1.00 77.56 O +ATOM 2984 HG SER A 188 -17.845 -4.008 -10.009 1.00 77.56 H +ATOM 2985 N ALA A 189 -19.105 -5.645 -6.574 1.00 70.06 N +ATOM 2986 H ALA A 189 -18.814 -4.684 -6.675 1.00 70.06 H +ATOM 2987 CA ALA A 189 -18.499 -6.432 -5.496 1.00 70.06 C +ATOM 2988 HA ALA A 189 -17.917 -7.242 -5.935 1.00 70.06 H +ATOM 2989 C ALA A 189 -19.523 -7.065 -4.540 1.00 70.06 C +ATOM 2990 CB ALA A 189 -17.554 -5.522 -4.708 1.00 70.06 C +ATOM 2991 HB1 ALA A 189 -16.737 -5.191 -5.348 1.00 70.06 H +ATOM 2992 HB2 ALA A 189 -18.095 -4.651 -4.336 1.00 70.06 H +ATOM 2993 HB3 ALA A 189 -17.159 -6.073 -3.855 1.00 70.06 H +ATOM 2994 O ALA A 189 -19.309 -8.168 -4.043 1.00 70.06 O +ATOM 2995 N SER A 190 -20.642 -6.388 -4.275 1.00 64.00 N +ATOM 2996 H SER A 190 -20.751 -5.467 -4.676 1.00 64.00 H +ATOM 2997 CA SER A 190 -21.705 -6.927 -3.414 1.00 64.00 C +ATOM 2998 HA SER A 190 -21.237 -7.447 -2.577 1.00 64.00 H +ATOM 2999 C SER A 190 -22.583 -7.961 -4.127 1.00 64.00 C +ATOM 3000 CB SER A 190 -22.545 -5.795 -2.818 1.00 64.00 C +ATOM 3001 HB2 SER A 190 -21.933 -5.233 -2.113 1.00 64.00 H +ATOM 3002 HB3 SER A 190 -23.389 -6.223 -2.276 1.00 64.00 H +ATOM 3003 O SER A 190 -23.096 -8.881 -3.483 1.00 64.00 O +ATOM 3004 OG SER A 190 -23.022 -4.911 -3.810 1.00 64.00 O +ATOM 3005 HG SER A 190 -22.297 -4.335 -4.062 1.00 64.00 H +ATOM 3006 N SER A 191 -22.722 -7.868 -5.455 1.00 59.06 N +ATOM 3007 H SER A 191 -22.341 -7.058 -5.923 1.00 59.06 H +ATOM 3008 CA SER A 191 -23.485 -8.848 -6.238 1.00 59.06 C +ATOM 3009 HA SER A 191 -24.462 -8.963 -5.769 1.00 59.06 H +ATOM 3010 C SER A 191 -22.834 -10.238 -6.251 1.00 59.06 C +ATOM 3011 CB SER A 191 -23.730 -8.324 -7.657 1.00 59.06 C +ATOM 3012 HB2 SER A 191 -24.103 -7.301 -7.607 1.00 59.06 H +ATOM 3013 HB3 SER A 191 -24.493 -8.943 -8.131 1.00 59.06 H +ATOM 3014 O SER A 191 -23.538 -11.244 -6.162 1.00 59.06 O +ATOM 3015 OG SER A 191 -22.567 -8.363 -8.460 1.00 59.06 O +ATOM 3016 HG SER A 191 -21.833 -7.912 -8.036 1.00 59.06 H +ATOM 3017 N SER A 192 -21.498 -10.316 -6.250 1.00 55.78 N +ATOM 3018 H SER A 192 -20.953 -9.467 -6.299 1.00 55.78 H +ATOM 3019 CA SER A 192 -20.779 -11.597 -6.258 1.00 55.78 C +ATOM 3020 HA SER A 192 -21.243 -12.241 -7.005 1.00 55.78 H +ATOM 3021 C SER A 192 -20.862 -12.341 -4.919 1.00 55.78 C +ATOM 3022 CB SER A 192 -19.326 -11.379 -6.687 1.00 55.78 C +ATOM 3023 HB2 SER A 192 -19.313 -10.920 -7.675 1.00 55.78 H +ATOM 3024 HB3 SER A 192 -18.813 -12.340 -6.737 1.00 55.78 H +ATOM 3025 O SER A 192 -20.853 -13.572 -4.901 1.00 55.78 O +ATOM 3026 OG SER A 192 -18.664 -10.536 -5.770 1.00 55.78 O +ATOM 3027 HG SER A 192 -17.855 -10.207 -6.169 1.00 55.78 H +ATOM 3028 N GLN A 193 -21.029 -11.630 -3.798 1.00 51.25 N +ATOM 3029 H GLN A 193 -20.977 -10.623 -3.863 1.00 51.25 H +ATOM 3030 CA GLN A 193 -21.176 -12.256 -2.477 1.00 51.25 C +ATOM 3031 HA GLN A 193 -20.525 -13.129 -2.437 1.00 51.25 H +ATOM 3032 C GLN A 193 -22.589 -12.784 -2.202 1.00 51.25 C +ATOM 3033 CB GLN A 193 -20.718 -11.292 -1.377 1.00 51.25 C +ATOM 3034 HB2 GLN A 193 -21.207 -10.326 -1.500 1.00 51.25 H +ATOM 3035 HB3 GLN A 193 -21.002 -11.705 -0.409 1.00 51.25 H +ATOM 3036 O GLN A 193 -22.736 -13.742 -1.444 1.00 51.25 O +ATOM 3037 CG GLN A 193 -19.192 -11.119 -1.396 1.00 51.25 C +ATOM 3038 HG2 GLN A 193 -18.887 -10.604 -2.307 1.00 51.25 H +ATOM 3039 HG3 GLN A 193 -18.723 -12.103 -1.385 1.00 51.25 H +ATOM 3040 CD GLN A 193 -18.687 -10.324 -0.197 1.00 51.25 C +ATOM 3041 NE2 GLN A 193 -17.523 -10.645 0.326 1.00 51.25 N +ATOM 3042 HE21 GLN A 193 -16.966 -11.390 -0.066 1.00 51.25 H +ATOM 3043 HE22 GLN A 193 -17.243 -10.113 1.137 1.00 51.25 H +ATOM 3044 OE1 GLN A 193 -19.321 -9.410 0.301 1.00 51.25 O +ATOM 3045 N ARG A 194 -23.629 -12.240 -2.850 1.00 52.53 N +ATOM 3046 H ARG A 194 -23.459 -11.458 -3.465 1.00 52.53 H +ATOM 3047 CA ARG A 194 -24.990 -12.803 -2.745 1.00 52.53 C +ATOM 3048 HA ARG A 194 -25.139 -13.162 -1.726 1.00 52.53 H +ATOM 3049 C ARG A 194 -25.207 -14.056 -3.598 1.00 52.53 C +ATOM 3050 CB ARG A 194 -26.052 -11.729 -3.021 1.00 52.53 C +ATOM 3051 HB2 ARG A 194 -27.010 -12.217 -3.198 1.00 52.53 H +ATOM 3052 HB3 ARG A 194 -25.785 -11.161 -3.912 1.00 52.53 H +ATOM 3053 O ARG A 194 -26.186 -14.754 -3.377 1.00 52.53 O +ATOM 3054 CG ARG A 194 -26.207 -10.791 -1.816 1.00 52.53 C +ATOM 3055 HG2 ARG A 194 -26.404 -11.382 -0.921 1.00 52.53 H +ATOM 3056 HG3 ARG A 194 -25.287 -10.224 -1.674 1.00 52.53 H +ATOM 3057 CD ARG A 194 -27.374 -9.827 -2.041 1.00 52.53 C +ATOM 3058 HD2 ARG A 194 -28.279 -10.408 -2.222 1.00 52.53 H +ATOM 3059 HD3 ARG A 194 -27.157 -9.225 -2.923 1.00 52.53 H +ATOM 3060 NE ARG A 194 -27.582 -8.949 -0.873 1.00 52.53 N +ATOM 3061 HE ARG A 194 -27.013 -9.139 -0.061 1.00 52.53 H +ATOM 3062 NH1 ARG A 194 -29.208 -7.620 -1.799 1.00 52.53 N +ATOM 3063 HH11 ARG A 194 -29.151 -8.166 -2.647 1.00 52.53 H +ATOM 3064 HH12 ARG A 194 -29.869 -6.860 -1.724 1.00 52.53 H +ATOM 3065 NH2 ARG A 194 -28.528 -7.238 0.293 1.00 52.53 N +ATOM 3066 HH21 ARG A 194 -27.958 -7.468 1.094 1.00 52.53 H +ATOM 3067 HH22 ARG A 194 -29.193 -6.479 0.353 1.00 52.53 H +ATOM 3068 CZ ARG A 194 -28.435 -7.943 -0.799 1.00 52.53 C +ATOM 3069 N GLY A 195 -24.299 -14.368 -4.525 1.00 52.69 N +ATOM 3070 H GLY A 195 -23.543 -13.719 -4.690 1.00 52.69 H +ATOM 3071 CA GLY A 195 -24.428 -15.530 -5.412 1.00 52.69 C +ATOM 3072 HA2 GLY A 195 -23.980 -15.276 -6.373 1.00 52.69 H +ATOM 3073 HA3 GLY A 195 -25.482 -15.743 -5.589 1.00 52.69 H +ATOM 3074 C GLY A 195 -23.765 -16.825 -4.927 1.00 52.69 C +ATOM 3075 O GLY A 195 -24.012 -17.872 -5.518 1.00 52.69 O +ATOM 3076 N ARG A 196 -22.919 -16.797 -3.882 1.00 48.56 N +ATOM 3077 H ARG A 196 -22.749 -15.906 -3.437 1.00 48.56 H +ATOM 3078 CA ARG A 196 -22.097 -17.966 -3.491 1.00 48.56 C +ATOM 3079 HA ARG A 196 -22.412 -18.802 -4.116 1.00 48.56 H +ATOM 3080 C ARG A 196 -22.336 -18.493 -2.073 1.00 48.56 C +ATOM 3081 CB ARG A 196 -20.614 -17.716 -3.820 1.00 48.56 C +ATOM 3082 HB2 ARG A 196 -20.127 -17.234 -2.972 1.00 48.56 H +ATOM 3083 HB3 ARG A 196 -20.544 -17.048 -4.679 1.00 48.56 H +ATOM 3084 O ARG A 196 -21.497 -19.208 -1.535 1.00 48.56 O +ATOM 3085 CG ARG A 196 -19.889 -19.026 -4.179 1.00 48.56 C +ATOM 3086 HG2 ARG A 196 -19.950 -19.740 -3.358 1.00 48.56 H +ATOM 3087 HG3 ARG A 196 -20.364 -19.464 -5.057 1.00 48.56 H +ATOM 3088 CD ARG A 196 -18.415 -18.769 -4.486 1.00 48.56 C +ATOM 3089 HD2 ARG A 196 -18.350 -18.051 -5.304 1.00 48.56 H +ATOM 3090 HD3 ARG A 196 -17.942 -18.343 -3.601 1.00 48.56 H +ATOM 3091 NE ARG A 196 -17.724 -20.017 -4.864 1.00 48.56 N +ATOM 3092 HE ARG A 196 -18.268 -20.867 -4.816 1.00 48.56 H +ATOM 3093 NH1 ARG A 196 -15.683 -19.086 -5.345 1.00 48.56 N +ATOM 3094 HH11 ARG A 196 -16.047 -18.179 -5.091 1.00 48.56 H +ATOM 3095 HH12 ARG A 196 -14.724 -19.182 -5.647 1.00 48.56 H +ATOM 3096 NH2 ARG A 196 -15.976 -21.285 -5.588 1.00 48.56 N +ATOM 3097 HH21 ARG A 196 -15.018 -21.361 -5.897 1.00 48.56 H +ATOM 3098 HH22 ARG A 196 -16.554 -22.113 -5.547 1.00 48.56 H +ATOM 3099 CZ ARG A 196 -16.470 -20.123 -5.262 1.00 48.56 C +ATOM 3100 N SER A 197 -23.489 -18.194 -1.483 1.00 46.72 N +ATOM 3101 H SER A 197 -24.142 -17.612 -1.988 1.00 46.72 H +ATOM 3102 CA SER A 197 -24.003 -18.947 -0.337 1.00 46.72 C +ATOM 3103 HA SER A 197 -23.246 -19.637 0.037 1.00 46.72 H +ATOM 3104 C SER A 197 -25.203 -19.760 -0.805 1.00 46.72 C +ATOM 3105 CB SER A 197 -24.359 -18.019 0.824 1.00 46.72 C +ATOM 3106 HB2 SER A 197 -25.152 -17.336 0.519 1.00 46.72 H +ATOM 3107 HB3 SER A 197 -23.480 -17.444 1.116 1.00 46.72 H +ATOM 3108 O SER A 197 -26.283 -19.220 -1.015 1.00 46.72 O +ATOM 3109 OG SER A 197 -24.796 -18.802 1.915 1.00 46.72 O +ATOM 3110 HG SER A 197 -25.225 -18.233 2.558 1.00 46.72 H +ATOM 3111 N GLY A 198 -24.994 -21.059 -1.017 1.00 45.91 N +ATOM 3112 H GLY A 198 -24.065 -21.415 -0.839 1.00 45.91 H +ATOM 3113 CA GLY A 198 -26.096 -22.013 -1.048 1.00 45.91 C +ATOM 3114 HA2 GLY A 198 -25.719 -22.977 -0.706 1.00 45.91 H +ATOM 3115 HA3 GLY A 198 -26.857 -21.695 -0.336 1.00 45.91 H +ATOM 3116 C GLY A 198 -26.793 -22.246 -2.388 1.00 45.91 C +ATOM 3117 O GLY A 198 -28.010 -22.369 -2.409 1.00 45.91 O +ATOM 3118 N SER A 199 -26.052 -22.527 -3.467 1.00 47.88 N +ATOM 3119 H SER A 199 -25.058 -22.352 -3.420 1.00 47.88 H +ATOM 3120 CA SER A 199 -26.529 -23.538 -4.436 1.00 47.88 C +ATOM 3121 HA SER A 199 -27.598 -23.392 -4.594 1.00 47.88 H +ATOM 3122 C SER A 199 -26.353 -24.944 -3.836 1.00 47.88 C +ATOM 3123 CB SER A 199 -25.874 -23.386 -5.812 1.00 47.88 C +ATOM 3124 HB2 SER A 199 -24.792 -23.486 -5.720 1.00 47.88 H +ATOM 3125 HB3 SER A 199 -26.108 -22.401 -6.216 1.00 47.88 H +ATOM 3126 O SER A 199 -25.725 -25.828 -4.411 1.00 47.88 O +ATOM 3127 OG SER A 199 -26.365 -24.380 -6.688 1.00 47.88 O +ATOM 3128 HG SER A 199 -26.069 -25.231 -6.357 1.00 47.88 H +ATOM 3129 N GLY A 200 -26.854 -25.123 -2.617 1.00 46.38 N +ATOM 3130 H GLY A 200 -27.389 -24.354 -2.238 1.00 46.38 H +ATOM 3131 CA GLY A 200 -27.060 -26.404 -1.974 1.00 46.38 C +ATOM 3132 HA2 GLY A 200 -26.451 -27.184 -2.430 1.00 46.38 H +ATOM 3133 HA3 GLY A 200 -26.823 -26.333 -0.912 1.00 46.38 H +ATOM 3134 C GLY A 200 -28.532 -26.735 -2.128 1.00 46.38 C +ATOM 3135 O GLY A 200 -29.326 -26.422 -1.257 1.00 46.38 O +ATOM 3136 N ASN A 201 -28.890 -27.286 -3.282 1.00 49.72 N +ATOM 3137 H ASN A 201 -28.180 -27.280 -4.001 1.00 49.72 H +ATOM 3138 CA ASN A 201 -29.844 -28.382 -3.393 1.00 49.72 C +ATOM 3139 HA ASN A 201 -30.248 -28.326 -4.403 1.00 49.72 H +ATOM 3140 C ASN A 201 -31.074 -28.362 -2.449 1.00 49.72 C +ATOM 3141 CB ASN A 201 -29.007 -29.675 -3.299 1.00 49.72 C +ATOM 3142 HB2 ASN A 201 -27.986 -29.495 -3.636 1.00 49.72 H +ATOM 3143 HB3 ASN A 201 -28.953 -30.031 -2.270 1.00 49.72 H +ATOM 3144 O ASN A 201 -31.339 -29.355 -1.778 1.00 49.72 O +ATOM 3145 CG ASN A 201 -29.550 -30.756 -4.202 1.00 49.72 C +ATOM 3146 ND2 ASN A 201 -30.378 -31.637 -3.698 1.00 49.72 N +ATOM 3147 HD21 ASN A 201 -30.678 -31.545 -2.738 1.00 49.72 H +ATOM 3148 HD22 ASN A 201 -30.712 -32.357 -4.322 1.00 49.72 H +ATOM 3149 OD1 ASN A 201 -29.256 -30.786 -5.380 1.00 49.72 O +ATOM 3150 N PHE A 202 -31.886 -27.300 -2.448 1.00 43.91 N +ATOM 3151 H PHE A 202 -31.578 -26.448 -2.895 1.00 43.91 H +ATOM 3152 CA PHE A 202 -33.275 -27.385 -1.971 1.00 43.91 C +ATOM 3153 HA PHE A 202 -33.350 -28.200 -1.251 1.00 43.91 H +ATOM 3154 C PHE A 202 -34.194 -27.791 -3.130 1.00 43.91 C +ATOM 3155 CB PHE A 202 -33.706 -26.129 -1.204 1.00 43.91 C +ATOM 3156 HB2 PHE A 202 -33.508 -25.246 -1.812 1.00 43.91 H +ATOM 3157 HB3 PHE A 202 -34.781 -26.175 -1.029 1.00 43.91 H +ATOM 3158 O PHE A 202 -35.134 -27.092 -3.502 1.00 43.91 O +ATOM 3159 CG PHE A 202 -33.023 -25.994 0.146 1.00 43.91 C +ATOM 3160 CD1 PHE A 202 -33.486 -26.729 1.256 1.00 43.91 C +ATOM 3161 HD1 PHE A 202 -34.339 -27.384 1.154 1.00 43.91 H +ATOM 3162 CD2 PHE A 202 -31.908 -25.150 0.288 1.00 43.91 C +ATOM 3163 HD2 PHE A 202 -31.531 -24.599 -0.561 1.00 43.91 H +ATOM 3164 CE1 PHE A 202 -32.838 -26.615 2.500 1.00 43.91 C +ATOM 3165 HE1 PHE A 202 -33.194 -27.179 3.349 1.00 43.91 H +ATOM 3166 CE2 PHE A 202 -31.261 -25.035 1.531 1.00 43.91 C +ATOM 3167 HE2 PHE A 202 -30.399 -24.392 1.630 1.00 43.91 H +ATOM 3168 CZ PHE A 202 -31.726 -25.766 2.637 1.00 43.91 C +ATOM 3169 HZ PHE A 202 -31.226 -25.681 3.591 1.00 43.91 H +ATOM 3170 N GLY A 203 -33.894 -28.953 -3.719 1.00 44.38 N +ATOM 3171 H GLY A 203 -33.104 -29.457 -3.342 1.00 44.38 H +ATOM 3172 CA GLY A 203 -34.897 -29.741 -4.421 1.00 44.38 C +ATOM 3173 HA2 GLY A 203 -34.442 -30.626 -4.865 1.00 44.38 H +ATOM 3174 HA3 GLY A 203 -35.366 -29.143 -5.203 1.00 44.38 H +ATOM 3175 C GLY A 203 -35.932 -30.178 -3.390 1.00 44.38 C +ATOM 3176 O GLY A 203 -35.610 -30.912 -2.458 1.00 44.38 O +ATOM 3177 N GLY A 204 -37.140 -29.634 -3.526 1.00 43.38 N +ATOM 3178 H GLY A 204 -37.272 -29.014 -4.312 1.00 43.38 H +ATOM 3179 CA GLY A 204 -38.214 -29.681 -2.543 1.00 43.38 C +ATOM 3180 HA2 GLY A 204 -37.914 -29.101 -1.670 1.00 43.38 H +ATOM 3181 HA3 GLY A 204 -39.103 -29.212 -2.964 1.00 43.38 H +ATOM 3182 C GLY A 204 -38.594 -31.092 -2.103 1.00 43.38 C +ATOM 3183 O GLY A 204 -39.249 -31.841 -2.827 1.00 43.38 O +ATOM 3184 N GLY A 205 -38.236 -31.414 -0.862 1.00 41.22 N +ATOM 3185 H GLY A 205 -37.633 -30.771 -0.370 1.00 41.22 H +ATOM 3186 CA GLY A 205 -38.866 -32.463 -0.078 1.00 41.22 C +ATOM 3187 HA2 GLY A 205 -39.117 -33.309 -0.717 1.00 41.22 H +ATOM 3188 HA3 GLY A 205 -38.174 -32.804 0.692 1.00 41.22 H +ATOM 3189 C GLY A 205 -40.120 -31.922 0.612 1.00 41.22 C +ATOM 3190 O GLY A 205 -40.046 -30.999 1.412 1.00 41.22 O +ATOM 3191 N ARG A 206 -41.260 -32.513 0.251 1.00 38.47 N +ATOM 3192 H ARG A 206 -41.152 -33.126 -0.545 1.00 38.47 H +ATOM 3193 CA ARG A 206 -42.558 -32.596 0.948 1.00 38.47 C +ATOM 3194 HA ARG A 206 -43.314 -32.094 0.344 1.00 38.47 H +ATOM 3195 C ARG A 206 -42.647 -32.018 2.379 1.00 38.47 C +ATOM 3196 CB ARG A 206 -42.895 -34.095 1.047 1.00 38.47 C +ATOM 3197 HB2 ARG A 206 -43.778 -34.220 1.673 1.00 38.47 H +ATOM 3198 HB3 ARG A 206 -42.067 -34.608 1.537 1.00 38.47 H +ATOM 3199 O ARG A 206 -41.998 -32.515 3.291 1.00 38.47 O +ATOM 3200 CG ARG A 206 -43.176 -34.759 -0.307 1.00 38.47 C +ATOM 3201 HG2 ARG A 206 -44.126 -34.391 -0.695 1.00 38.47 H +ATOM 3202 HG3 ARG A 206 -42.386 -34.526 -1.022 1.00 38.47 H +ATOM 3203 CD ARG A 206 -43.239 -36.279 -0.135 1.00 38.47 C +ATOM 3204 HD2 ARG A 206 -43.959 -36.510 0.650 1.00 38.47 H +ATOM 3205 HD3 ARG A 206 -42.257 -36.640 0.172 1.00 38.47 H +ATOM 3206 NE ARG A 206 -43.648 -36.945 -1.385 1.00 38.47 N +ATOM 3207 HE ARG A 206 -43.795 -36.353 -2.190 1.00 38.47 H +ATOM 3208 NH1 ARG A 206 -43.694 -39.089 -0.566 1.00 38.47 N +ATOM 3209 HH11 ARG A 206 -43.879 -40.073 -0.697 1.00 38.47 H +ATOM 3210 HH12 ARG A 206 -43.356 -38.750 0.323 1.00 38.47 H +ATOM 3211 NH2 ARG A 206 -44.313 -38.698 -2.675 1.00 38.47 N +ATOM 3212 HH21 ARG A 206 -44.469 -38.073 -3.454 1.00 38.47 H +ATOM 3213 HH22 ARG A 206 -44.498 -39.684 -2.785 1.00 38.47 H +ATOM 3214 CZ ARG A 206 -43.880 -38.236 -1.536 1.00 38.47 C +ATOM 3215 N GLY A 207 -43.623 -31.128 2.574 1.00 41.00 N +ATOM 3216 H GLY A 207 -44.006 -30.684 1.752 1.00 41.00 H +ATOM 3217 CA GLY A 207 -44.243 -30.764 3.859 1.00 41.00 C +ATOM 3218 HA2 GLY A 207 -44.950 -31.533 4.170 1.00 41.00 H +ATOM 3219 HA3 GLY A 207 -43.477 -30.658 4.627 1.00 41.00 H +ATOM 3220 C GLY A 207 -44.955 -29.414 3.693 1.00 41.00 C +ATOM 3221 O GLY A 207 -44.290 -28.414 3.488 1.00 41.00 O +ATOM 3222 N GLY A 208 -46.280 -29.277 3.628 1.00 37.00 N +ATOM 3223 H GLY A 208 -46.545 -28.344 3.345 1.00 37.00 H +ATOM 3224 CA GLY A 208 -47.302 -30.021 4.352 1.00 37.00 C +ATOM 3225 HA2 GLY A 208 -48.280 -29.834 3.909 1.00 37.00 H +ATOM 3226 HA3 GLY A 208 -47.100 -31.092 4.324 1.00 37.00 H +ATOM 3227 C GLY A 208 -47.308 -29.554 5.805 1.00 37.00 C +ATOM 3228 O GLY A 208 -46.604 -30.143 6.612 1.00 37.00 O +ATOM 3229 N GLY A 209 -48.061 -28.500 6.136 1.00 36.41 N +ATOM 3230 H GLY A 209 -48.550 -27.980 5.421 1.00 36.41 H +ATOM 3231 CA GLY A 209 -48.202 -28.078 7.533 1.00 36.41 C +ATOM 3232 HA2 GLY A 209 -47.237 -28.164 8.033 1.00 36.41 H +ATOM 3233 HA3 GLY A 209 -48.891 -28.750 8.043 1.00 36.41 H +ATOM 3234 C GLY A 209 -48.657 -26.637 7.720 1.00 36.41 C +ATOM 3235 O GLY A 209 -47.907 -25.703 7.483 1.00 36.41 O +ATOM 3236 N PHE A 210 -49.904 -26.501 8.150 1.00 36.78 N +ATOM 3237 H PHE A 210 -50.388 -27.361 8.366 1.00 36.78 H +ATOM 3238 CA PHE A 210 -50.632 -25.291 8.508 1.00 36.78 C +ATOM 3239 HA PHE A 210 -50.584 -24.575 7.688 1.00 36.78 H +ATOM 3240 C PHE A 210 -50.101 -24.628 9.795 1.00 36.78 C +ATOM 3241 CB PHE A 210 -52.086 -25.739 8.738 1.00 36.78 C +ATOM 3242 HB2 PHE A 210 -52.649 -24.887 9.121 1.00 36.78 H +ATOM 3243 HB3 PHE A 210 -52.106 -26.499 9.519 1.00 36.78 H +ATOM 3244 O PHE A 210 -49.613 -25.318 10.685 1.00 36.78 O +ATOM 3245 CG PHE A 210 -52.811 -26.283 7.516 1.00 36.78 C +ATOM 3246 CD1 PHE A 210 -53.761 -25.470 6.873 1.00 36.78 C +ATOM 3247 HD1 PHE A 210 -53.960 -24.473 7.238 1.00 36.78 H +ATOM 3248 CD2 PHE A 210 -52.582 -27.592 7.037 1.00 36.78 C +ATOM 3249 HD2 PHE A 210 -51.895 -28.249 7.549 1.00 36.78 H +ATOM 3250 CE1 PHE A 210 -54.466 -25.949 5.757 1.00 36.78 C +ATOM 3251 HE1 PHE A 210 -55.200 -25.321 5.273 1.00 36.78 H +ATOM 3252 CE2 PHE A 210 -53.275 -28.064 5.907 1.00 36.78 C +ATOM 3253 HE2 PHE A 210 -53.108 -29.070 5.550 1.00 36.78 H +ATOM 3254 CZ PHE A 210 -54.218 -27.242 5.268 1.00 36.78 C +ATOM 3255 HZ PHE A 210 -54.766 -27.609 4.412 1.00 36.78 H +ATOM 3256 N GLY A 211 -50.307 -23.312 9.923 1.00 38.34 N +ATOM 3257 H GLY A 211 -50.667 -22.816 9.120 1.00 38.34 H +ATOM 3258 CA GLY A 211 -50.128 -22.532 11.159 1.00 38.34 C +ATOM 3259 HA2 GLY A 211 -51.082 -22.428 11.676 1.00 38.34 H +ATOM 3260 HA3 GLY A 211 -49.432 -23.042 11.824 1.00 38.34 H +ATOM 3261 C GLY A 211 -49.542 -21.154 10.832 1.00 38.34 C +ATOM 3262 O GLY A 211 -48.351 -21.042 10.595 1.00 38.34 O +ATOM 3263 N GLY A 212 -50.304 -20.073 10.676 1.00 36.66 N +ATOM 3264 H GLY A 212 -49.798 -19.316 10.237 1.00 36.66 H +ATOM 3265 CA GLY A 212 -51.389 -19.650 11.550 1.00 36.66 C +ATOM 3266 HA2 GLY A 212 -52.008 -20.495 11.851 1.00 36.66 H +ATOM 3267 HA3 GLY A 212 -52.019 -18.924 11.036 1.00 36.66 H +ATOM 3268 C GLY A 212 -50.795 -19.003 12.800 1.00 36.66 C +ATOM 3269 O GLY A 212 -50.599 -19.703 13.784 1.00 36.66 O +ATOM 3270 N ASN A 213 -50.486 -17.703 12.740 1.00 44.19 N +ATOM 3271 H ASN A 213 -50.523 -17.257 11.834 1.00 44.19 H +ATOM 3272 CA ASN A 213 -50.658 -16.791 13.871 1.00 44.19 C +ATOM 3273 HA ASN A 213 -51.661 -16.955 14.267 1.00 44.19 H +ATOM 3274 C ASN A 213 -50.571 -15.331 13.398 1.00 44.19 C +ATOM 3275 CB ASN A 213 -49.655 -17.035 15.015 1.00 44.19 C +ATOM 3276 HB2 ASN A 213 -49.561 -18.096 15.248 1.00 44.19 H +ATOM 3277 HB3 ASN A 213 -48.672 -16.660 14.733 1.00 44.19 H +ATOM 3278 O ASN A 213 -49.499 -14.829 13.052 1.00 44.19 O +ATOM 3279 CG ASN A 213 -50.136 -16.355 16.286 1.00 44.19 C +ATOM 3280 ND2 ASN A 213 -49.245 -15.794 17.067 1.00 44.19 N +ATOM 3281 HD21 ASN A 213 -48.281 -15.733 16.774 1.00 44.19 H +ATOM 3282 HD22 ASN A 213 -49.640 -15.270 17.835 1.00 44.19 H +ATOM 3283 OD1 ASN A 213 -51.308 -16.338 16.613 1.00 44.19 O +ATOM 3284 N ASP A 214 -51.721 -14.673 13.390 1.00 41.84 N +ATOM 3285 H ASP A 214 -52.558 -15.176 13.647 1.00 41.84 H +ATOM 3286 CA ASP A 214 -51.876 -13.229 13.314 1.00 41.84 C +ATOM 3287 HA ASP A 214 -51.445 -12.862 12.383 1.00 41.84 H +ATOM 3288 C ASP A 214 -51.202 -12.549 14.519 1.00 41.84 C +ATOM 3289 CB ASP A 214 -53.385 -12.931 13.333 1.00 41.84 C +ATOM 3290 HB2 ASP A 214 -53.536 -11.859 13.207 1.00 41.84 H +ATOM 3291 HB3 ASP A 214 -53.800 -13.218 14.299 1.00 41.84 H +ATOM 3292 O ASP A 214 -51.307 -13.044 15.639 1.00 41.84 O +ATOM 3293 CG ASP A 214 -54.126 -13.678 12.222 1.00 41.84 C +ATOM 3294 OD1 ASP A 214 -53.940 -13.274 11.053 1.00 41.84 O +ATOM 3295 OD2 ASP A 214 -54.820 -14.669 12.543 1.00 41.84 O +ATOM 3296 N ASN A 215 -50.540 -11.401 14.319 1.00 41.69 N +ATOM 3297 H ASN A 215 -50.333 -11.153 13.362 1.00 41.69 H +ATOM 3298 CA ASN A 215 -50.553 -10.307 15.302 1.00 41.69 C +ATOM 3299 HA ASN A 215 -51.605 -10.075 15.469 1.00 41.69 H +ATOM 3300 C ASN A 215 -49.901 -9.016 14.771 1.00 41.69 C +ATOM 3301 CB ASN A 215 -49.915 -10.709 16.659 1.00 41.69 C +ATOM 3302 HB2 ASN A 215 -49.166 -9.972 16.947 1.00 41.69 H +ATOM 3303 HB3 ASN A 215 -49.400 -11.666 16.572 1.00 41.69 H +ATOM 3304 O ASN A 215 -48.692 -8.959 14.570 1.00 41.69 O +ATOM 3305 CG ASN A 215 -50.928 -10.797 17.792 1.00 41.69 C +ATOM 3306 ND2 ASN A 215 -50.487 -10.928 19.020 1.00 41.69 N +ATOM 3307 HD21 ASN A 215 -49.501 -11.068 19.191 1.00 41.69 H +ATOM 3308 HD22 ASN A 215 -51.204 -11.061 19.719 1.00 41.69 H +ATOM 3309 OD1 ASN A 215 -52.124 -10.693 17.634 1.00 41.69 O +ATOM 3310 N PHE A 216 -50.760 -8.003 14.587 1.00 41.62 N +ATOM 3311 H PHE A 216 -51.723 -8.297 14.673 1.00 41.62 H +ATOM 3312 CA PHE A 216 -50.607 -6.541 14.757 1.00 41.62 C +ATOM 3313 HA PHE A 216 -51.258 -6.075 14.017 1.00 41.62 H +ATOM 3314 C PHE A 216 -49.204 -5.917 14.567 1.00 41.62 C +ATOM 3315 CB PHE A 216 -51.169 -6.201 16.150 1.00 41.62 C +ATOM 3316 HB2 PHE A 216 -51.262 -5.119 16.237 1.00 41.62 H +ATOM 3317 HB3 PHE A 216 -50.451 -6.528 16.903 1.00 41.62 H +ATOM 3318 O PHE A 216 -48.265 -6.241 15.276 1.00 41.62 O +ATOM 3319 CG PHE A 216 -52.520 -6.833 16.458 1.00 41.62 C +ATOM 3320 CD1 PHE A 216 -53.677 -6.412 15.777 1.00 41.62 C +ATOM 3321 HD1 PHE A 216 -53.618 -5.618 15.048 1.00 41.62 H +ATOM 3322 CD2 PHE A 216 -52.625 -7.864 17.407 1.00 41.62 C +ATOM 3323 HD2 PHE A 216 -51.753 -8.181 17.960 1.00 41.62 H +ATOM 3324 CE1 PHE A 216 -54.914 -7.039 16.017 1.00 41.62 C +ATOM 3325 HE1 PHE A 216 -55.796 -6.725 15.478 1.00 41.62 H +ATOM 3326 CE2 PHE A 216 -53.866 -8.485 17.649 1.00 41.62 C +ATOM 3327 HE2 PHE A 216 -53.945 -9.278 18.378 1.00 41.62 H +ATOM 3328 CZ PHE A 216 -55.006 -8.090 16.941 1.00 41.62 C +ATOM 3329 HZ PHE A 216 -55.951 -8.585 17.116 1.00 41.62 H +ATOM 3330 N GLY A 217 -48.987 -4.916 13.711 1.00 35.84 N +ATOM 3331 H GLY A 217 -47.993 -4.774 13.600 1.00 35.84 H +ATOM 3332 CA GLY A 217 -49.753 -3.673 13.584 1.00 35.84 C +ATOM 3333 HA2 GLY A 217 -50.577 -3.656 14.297 1.00 35.84 H +ATOM 3334 HA3 GLY A 217 -50.153 -3.603 12.573 1.00 35.84 H +ATOM 3335 C GLY A 217 -48.835 -2.461 13.863 1.00 35.84 C +ATOM 3336 O GLY A 217 -47.938 -2.556 14.694 1.00 35.84 O +ATOM 3337 N ARG A 218 -49.121 -1.319 13.209 1.00 43.88 N +ATOM 3338 H ARG A 218 -49.916 -1.396 12.591 1.00 43.88 H +ATOM 3339 CA ARG A 218 -48.374 -0.029 13.116 1.00 43.88 C +ATOM 3340 HA ARG A 218 -49.105 0.737 12.856 1.00 43.88 H +ATOM 3341 C ARG A 218 -47.312 -0.012 12.004 1.00 43.88 C +ATOM 3342 CB ARG A 218 -47.726 0.415 14.447 1.00 43.88 C +ATOM 3343 HB2 ARG A 218 -47.287 1.399 14.284 1.00 43.88 H +ATOM 3344 HB3 ARG A 218 -46.905 -0.259 14.691 1.00 43.88 H +ATOM 3345 O ARG A 218 -46.384 -0.797 12.029 1.00 43.88 O +ATOM 3346 CG ARG A 218 -48.670 0.512 15.654 1.00 43.88 C +ATOM 3347 HG2 ARG A 218 -49.066 -0.474 15.897 1.00 43.88 H +ATOM 3348 HG3 ARG A 218 -49.498 1.182 15.424 1.00 43.88 H +ATOM 3349 CD ARG A 218 -47.889 1.054 16.858 1.00 43.88 C +ATOM 3350 HD2 ARG A 218 -47.003 0.435 17.000 1.00 43.88 H +ATOM 3351 HD3 ARG A 218 -47.558 2.068 16.637 1.00 43.88 H +ATOM 3352 NE ARG A 218 -48.689 1.001 18.099 1.00 43.88 N +ATOM 3353 HE ARG A 218 -49.012 0.083 18.367 1.00 43.88 H +ATOM 3354 NH1 ARG A 218 -48.589 3.220 18.717 1.00 43.88 N +ATOM 3355 HH11 ARG A 218 -48.801 3.950 19.382 1.00 43.88 H +ATOM 3356 HH12 ARG A 218 -48.043 3.424 17.892 1.00 43.88 H +ATOM 3357 NH2 ARG A 218 -49.638 1.753 20.025 1.00 43.88 N +ATOM 3358 HH21 ARG A 218 -49.936 0.814 20.246 1.00 43.88 H +ATOM 3359 HH22 ARG A 218 -49.851 2.505 20.665 1.00 43.88 H +ATOM 3360 CZ ARG A 218 -48.965 1.989 18.933 1.00 43.88 C +ATOM 3361 N GLY A 219 -47.333 0.862 11.003 1.00 36.50 N +ATOM 3362 H GLY A 219 -46.538 0.736 10.394 1.00 36.50 H +ATOM 3363 CA GLY A 219 -48.084 2.098 10.785 1.00 36.50 C +ATOM 3364 HA2 GLY A 219 -48.953 1.898 10.158 1.00 36.50 H +ATOM 3365 HA3 GLY A 219 -48.406 2.532 11.731 1.00 36.50 H +ATOM 3366 C GLY A 219 -47.156 3.104 10.088 1.00 36.50 C +ATOM 3367 O GLY A 219 -46.061 3.342 10.585 1.00 36.50 O +ATOM 3368 N GLY A 220 -47.587 3.679 8.958 1.00 43.00 N +ATOM 3369 H GLY A 220 -48.482 3.393 8.587 1.00 43.00 H +ATOM 3370 CA GLY A 220 -46.903 4.791 8.278 1.00 43.00 C +ATOM 3371 HA2 GLY A 220 -45.889 4.886 8.666 1.00 43.00 H +ATOM 3372 HA3 GLY A 220 -47.428 5.713 8.527 1.00 43.00 H +ATOM 3373 C GLY A 220 -46.777 4.600 6.753 1.00 43.00 C +ATOM 3374 O GLY A 220 -45.777 4.065 6.303 1.00 43.00 O +ATOM 3375 N ASN A 221 -47.812 4.780 5.926 1.00 39.09 N +ATOM 3376 H ASN A 221 -47.733 4.099 5.185 1.00 39.09 H +ATOM 3377 CA ASN A 221 -48.386 6.034 5.391 1.00 39.09 C +ATOM 3378 HA ASN A 221 -49.464 5.934 5.517 1.00 39.09 H +ATOM 3379 C ASN A 221 -48.130 6.170 3.863 1.00 39.09 C +ATOM 3380 CB ASN A 221 -48.000 7.306 6.177 1.00 39.09 C +ATOM 3381 HB2 ASN A 221 -47.958 7.113 7.249 1.00 39.09 H +ATOM 3382 HB3 ASN A 221 -47.026 7.674 5.855 1.00 39.09 H +ATOM 3383 O ASN A 221 -47.080 6.618 3.426 1.00 39.09 O +ATOM 3384 CG ASN A 221 -49.051 8.388 6.043 1.00 39.09 C +ATOM 3385 ND2 ASN A 221 -48.814 9.425 5.278 1.00 39.09 N +ATOM 3386 HD21 ASN A 221 -49.529 10.138 5.239 1.00 39.09 H +ATOM 3387 HD22 ASN A 221 -47.954 9.489 4.753 1.00 39.09 H +ATOM 3388 OD1 ASN A 221 -50.114 8.287 6.627 1.00 39.09 O +ATOM 3389 N PHE A 222 -49.142 5.730 3.107 1.00 39.38 N +ATOM 3390 H PHE A 222 -49.851 5.262 3.653 1.00 39.38 H +ATOM 3391 CA PHE A 222 -49.680 6.150 1.798 1.00 39.38 C +ATOM 3392 HA PHE A 222 -50.220 5.264 1.465 1.00 39.38 H +ATOM 3393 C PHE A 222 -48.810 6.550 0.580 1.00 39.38 C +ATOM 3394 CB PHE A 222 -50.789 7.184 2.041 1.00 39.38 C +ATOM 3395 HB2 PHE A 222 -51.292 7.406 1.100 1.00 39.38 H +ATOM 3396 HB3 PHE A 222 -50.343 8.109 2.406 1.00 39.38 H +ATOM 3397 O PHE A 222 -48.140 7.574 0.534 1.00 39.38 O +ATOM 3398 CG PHE A 222 -51.841 6.692 3.014 1.00 39.38 C +ATOM 3399 CD1 PHE A 222 -52.789 5.728 2.627 1.00 39.38 C +ATOM 3400 HD1 PHE A 222 -52.820 5.375 1.607 1.00 39.38 H +ATOM 3401 CD2 PHE A 222 -51.840 7.167 4.330 1.00 39.38 C +ATOM 3402 HD2 PHE A 222 -51.175 7.979 4.584 1.00 39.38 H +ATOM 3403 CE1 PHE A 222 -53.702 5.223 3.572 1.00 39.38 C +ATOM 3404 HE1 PHE A 222 -54.437 4.490 3.275 1.00 39.38 H +ATOM 3405 CE2 PHE A 222 -52.722 6.642 5.287 1.00 39.38 C +ATOM 3406 HE2 PHE A 222 -52.707 7.023 6.298 1.00 39.38 H +ATOM 3407 CZ PHE A 222 -53.657 5.665 4.906 1.00 39.38 C +ATOM 3408 HZ PHE A 222 -54.358 5.278 5.630 1.00 39.38 H +ATOM 3409 N SER A 223 -49.086 5.795 -0.495 1.00 38.53 N +ATOM 3410 H SER A 223 -49.467 4.889 -0.262 1.00 38.53 H +ATOM 3411 CA SER A 223 -49.443 6.240 -1.857 1.00 38.53 C +ATOM 3412 HA SER A 223 -49.627 5.317 -2.406 1.00 38.53 H +ATOM 3413 C SER A 223 -48.415 6.994 -2.712 1.00 38.53 C +ATOM 3414 CB SER A 223 -50.806 6.954 -1.868 1.00 38.53 C +ATOM 3415 HB2 SER A 223 -51.549 6.330 -1.371 1.00 38.53 H +ATOM 3416 HB3 SER A 223 -51.119 7.107 -2.901 1.00 38.53 H +ATOM 3417 O SER A 223 -48.453 8.214 -2.836 1.00 38.53 O +ATOM 3418 OG SER A 223 -50.745 8.204 -1.223 1.00 38.53 O +ATOM 3419 HG SER A 223 -49.927 8.635 -1.482 1.00 38.53 H +ATOM 3420 N GLY A 224 -47.641 6.218 -3.474 1.00 45.47 N +ATOM 3421 H GLY A 224 -47.585 5.238 -3.240 1.00 45.47 H +ATOM 3422 CA GLY A 224 -47.160 6.582 -4.808 1.00 45.47 C +ATOM 3423 HA2 GLY A 224 -46.072 6.522 -4.832 1.00 45.47 H +ATOM 3424 HA3 GLY A 224 -47.455 7.599 -5.066 1.00 45.47 H +ATOM 3425 C GLY A 224 -47.725 5.591 -5.831 1.00 45.47 C +ATOM 3426 O GLY A 224 -47.334 4.431 -5.870 1.00 45.47 O +ATOM 3427 N ARG A 225 -48.711 6.040 -6.604 1.00 42.59 N +ATOM 3428 H ARG A 225 -48.929 7.020 -6.497 1.00 42.59 H +ATOM 3429 CA ARG A 225 -49.414 5.323 -7.677 1.00 42.59 C +ATOM 3430 HA ARG A 225 -49.775 4.365 -7.301 1.00 42.59 H +ATOM 3431 C ARG A 225 -48.477 5.079 -8.869 1.00 42.59 C +ATOM 3432 CB ARG A 225 -50.588 6.249 -8.040 1.00 42.59 C +ATOM 3433 HB2 ARG A 225 -51.156 6.437 -7.129 1.00 42.59 H +ATOM 3434 HB3 ARG A 225 -50.174 7.203 -8.367 1.00 42.59 H +ATOM 3435 O ARG A 225 -47.827 6.014 -9.318 1.00 42.59 O +ATOM 3436 CG ARG A 225 -51.578 5.776 -9.109 1.00 42.59 C +ATOM 3437 HG2 ARG A 225 -52.076 4.868 -8.770 1.00 42.59 H +ATOM 3438 HG3 ARG A 225 -51.060 5.586 -10.049 1.00 42.59 H +ATOM 3439 CD ARG A 225 -52.606 6.905 -9.301 1.00 42.59 C +ATOM 3440 HD2 ARG A 225 -53.034 7.164 -8.333 1.00 42.59 H +ATOM 3441 HD3 ARG A 225 -52.078 7.779 -9.683 1.00 42.59 H +ATOM 3442 NE ARG A 225 -53.705 6.525 -10.208 1.00 42.59 N +ATOM 3443 HE ARG A 225 -54.054 5.580 -10.128 1.00 42.59 H +ATOM 3444 NH1 ARG A 225 -53.973 8.551 -11.277 1.00 42.59 N +ATOM 3445 HH11 ARG A 225 -54.466 9.127 -11.944 1.00 42.59 H +ATOM 3446 HH12 ARG A 225 -53.198 8.938 -10.758 1.00 42.59 H +ATOM 3447 NH2 ARG A 225 -55.342 6.861 -11.755 1.00 42.59 N +ATOM 3448 HH21 ARG A 225 -55.671 5.915 -11.627 1.00 42.59 H +ATOM 3449 HH22 ARG A 225 -55.818 7.465 -12.410 1.00 42.59 H +ATOM 3450 CZ ARG A 225 -54.328 7.312 -11.071 1.00 42.59 C +ATOM 3451 N GLY A 226 -48.475 3.870 -9.429 1.00 41.12 N +ATOM 3452 H GLY A 226 -48.941 3.114 -8.947 1.00 41.12 H +ATOM 3453 CA GLY A 226 -47.743 3.561 -10.664 1.00 41.12 C +ATOM 3454 HA2 GLY A 226 -48.110 4.187 -11.477 1.00 41.12 H +ATOM 3455 HA3 GLY A 226 -46.685 3.781 -10.519 1.00 41.12 H +ATOM 3456 C GLY A 226 -47.870 2.097 -11.071 1.00 41.12 C +ATOM 3457 O GLY A 226 -46.932 1.327 -10.916 1.00 41.12 O +ATOM 3458 N GLY A 227 -49.058 1.704 -11.534 1.00 35.41 N +ATOM 3459 H GLY A 227 -49.762 2.412 -11.689 1.00 35.41 H +ATOM 3460 CA GLY A 227 -49.285 0.403 -12.152 1.00 35.41 C +ATOM 3461 HA2 GLY A 227 -50.330 0.117 -12.030 1.00 35.41 H +ATOM 3462 HA3 GLY A 227 -48.668 -0.351 -11.665 1.00 35.41 H +ATOM 3463 C GLY A 227 -48.970 0.431 -13.649 1.00 35.41 C +ATOM 3464 O GLY A 227 -49.511 1.261 -14.373 1.00 35.41 O +ATOM 3465 N PHE A 228 -48.163 -0.530 -14.091 1.00 42.34 N +ATOM 3466 H PHE A 228 -47.645 -1.054 -13.400 1.00 42.34 H +ATOM 3467 CA PHE A 228 -48.073 -1.062 -15.455 1.00 42.34 C +ATOM 3468 HA PHE A 228 -49.041 -0.965 -15.947 1.00 42.34 H +ATOM 3469 C PHE A 228 -47.719 -2.553 -15.253 1.00 42.34 C +ATOM 3470 CB PHE A 228 -46.995 -0.327 -16.292 1.00 42.34 C +ATOM 3471 HB2 PHE A 228 -47.397 -0.161 -17.291 1.00 42.34 H +ATOM 3472 HB3 PHE A 228 -46.134 -0.983 -16.419 1.00 42.34 H +ATOM 3473 O PHE A 228 -46.783 -2.843 -14.521 1.00 42.34 O +ATOM 3474 CG PHE A 228 -46.478 1.000 -15.746 1.00 42.34 C +ATOM 3475 CD1 PHE A 228 -47.084 2.216 -16.116 1.00 42.34 C +ATOM 3476 HD1 PHE A 228 -47.924 2.214 -16.796 1.00 42.34 H +ATOM 3477 CD2 PHE A 228 -45.393 1.013 -14.848 1.00 42.34 C +ATOM 3478 HD2 PHE A 228 -44.925 0.084 -14.557 1.00 42.34 H +ATOM 3479 CE1 PHE A 228 -46.614 3.433 -15.588 1.00 42.34 C +ATOM 3480 HE1 PHE A 228 -47.082 4.362 -15.878 1.00 42.34 H +ATOM 3481 CE2 PHE A 228 -44.923 2.228 -14.319 1.00 42.34 C +ATOM 3482 HE2 PHE A 228 -44.093 2.229 -13.628 1.00 42.34 H +ATOM 3483 CZ PHE A 228 -45.533 3.439 -14.689 1.00 42.34 C +ATOM 3484 HZ PHE A 228 -45.168 4.373 -14.288 1.00 42.34 H +ATOM 3485 N GLY A 229 -48.420 -3.578 -15.730 1.00 35.25 N +ATOM 3486 H GLY A 229 -48.028 -4.462 -15.439 1.00 35.25 H +ATOM 3487 CA GLY A 229 -49.433 -3.645 -16.773 1.00 35.25 C +ATOM 3488 HA2 GLY A 229 -49.633 -2.656 -17.184 1.00 35.25 H +ATOM 3489 HA3 GLY A 229 -50.358 -4.052 -16.365 1.00 35.25 H +ATOM 3490 C GLY A 229 -48.942 -4.540 -17.913 1.00 35.25 C +ATOM 3491 O GLY A 229 -48.393 -4.028 -18.877 1.00 35.25 O +ATOM 3492 N GLY A 230 -49.194 -5.852 -17.802 1.00 40.62 N +ATOM 3493 H GLY A 230 -49.568 -6.174 -16.921 1.00 40.62 H +ATOM 3494 CA GLY A 230 -49.139 -6.836 -18.898 1.00 40.62 C +ATOM 3495 HA2 GLY A 230 -49.895 -7.597 -18.703 1.00 40.62 H +ATOM 3496 HA3 GLY A 230 -49.394 -6.345 -19.837 1.00 40.62 H +ATOM 3497 C GLY A 230 -47.789 -7.540 -19.096 1.00 40.62 C +ATOM 3498 O GLY A 230 -46.747 -6.996 -18.780 1.00 40.62 O +ATOM 3499 N SER A 231 -47.695 -8.758 -19.623 1.00 39.69 N +ATOM 3500 H SER A 231 -46.736 -9.028 -19.788 1.00 39.69 H +ATOM 3501 CA SER A 231 -48.684 -9.751 -20.042 1.00 39.69 C +ATOM 3502 HA SER A 231 -49.399 -9.949 -19.244 1.00 39.69 H +ATOM 3503 C SER A 231 -47.917 -11.033 -20.403 1.00 39.69 C +ATOM 3504 CB SER A 231 -49.414 -9.291 -21.315 1.00 39.69 C +ATOM 3505 HB2 SER A 231 -48.750 -8.669 -21.915 1.00 39.69 H +ATOM 3506 HB3 SER A 231 -49.697 -10.160 -21.909 1.00 39.69 H +ATOM 3507 O SER A 231 -46.944 -10.958 -21.135 1.00 39.69 O +ATOM 3508 OG SER A 231 -50.594 -8.580 -20.991 1.00 39.69 O +ATOM 3509 HG SER A 231 -50.757 -7.950 -21.697 1.00 39.69 H +ATOM 3510 N ARG A 232 -48.419 -12.178 -19.920 1.00 37.31 N +ATOM 3511 H ARG A 232 -49.005 -12.051 -19.107 1.00 37.31 H +ATOM 3512 CA ARG A 232 -48.614 -13.474 -20.614 1.00 37.31 C +ATOM 3513 HA ARG A 232 -48.885 -14.191 -19.839 1.00 37.31 H +ATOM 3514 C ARG A 232 -47.473 -14.145 -21.411 1.00 37.31 C +ATOM 3515 CB ARG A 232 -49.823 -13.348 -21.560 1.00 37.31 C +ATOM 3516 HB2 ARG A 232 -49.996 -14.315 -22.034 1.00 37.31 H +ATOM 3517 HB3 ARG A 232 -49.583 -12.632 -22.346 1.00 37.31 H +ATOM 3518 O ARG A 232 -46.943 -13.592 -22.361 1.00 37.31 O +ATOM 3519 CG ARG A 232 -51.118 -12.917 -20.861 1.00 37.31 C +ATOM 3520 HG2 ARG A 232 -50.989 -11.937 -20.401 1.00 37.31 H +ATOM 3521 HG3 ARG A 232 -51.374 -13.645 -20.091 1.00 37.31 H +ATOM 3522 CD ARG A 232 -52.254 -12.829 -21.880 1.00 37.31 C +ATOM 3523 HD2 ARG A 232 -51.976 -12.123 -22.662 1.00 37.31 H +ATOM 3524 HD3 ARG A 232 -52.395 -13.813 -22.329 1.00 37.31 H +ATOM 3525 NE ARG A 232 -53.505 -12.382 -21.241 1.00 37.31 N +ATOM 3526 HE ARG A 232 -53.424 -11.950 -20.331 1.00 37.31 H +ATOM 3527 NH1 ARG A 232 -54.934 -12.976 -22.937 1.00 37.31 N +ATOM 3528 HH11 ARG A 232 -55.868 -13.027 -23.319 1.00 37.31 H +ATOM 3529 HH12 ARG A 232 -54.149 -13.293 -23.488 1.00 37.31 H +ATOM 3530 NH2 ARG A 232 -55.750 -12.053 -21.078 1.00 37.31 N +ATOM 3531 HH21 ARG A 232 -55.637 -11.657 -20.156 1.00 37.31 H +ATOM 3532 HH22 ARG A 232 -56.676 -12.124 -21.476 1.00 37.31 H +ATOM 3533 CZ ARG A 232 -54.718 -12.472 -21.754 1.00 37.31 C +ATOM 3534 N GLY A 233 -47.376 -15.460 -21.181 1.00 36.75 N +ATOM 3535 H GLY A 233 -47.792 -15.808 -20.329 1.00 36.75 H +ATOM 3536 CA GLY A 233 -46.936 -16.479 -22.152 1.00 36.75 C +ATOM 3537 HA2 GLY A 233 -47.683 -17.270 -22.215 1.00 36.75 H +ATOM 3538 HA3 GLY A 233 -46.820 -16.035 -23.140 1.00 36.75 H +ATOM 3539 C GLY A 233 -45.598 -17.089 -21.754 1.00 36.75 C +ATOM 3540 O GLY A 233 -44.593 -16.401 -21.772 1.00 36.75 O +ATOM 3541 N GLY A 234 -45.548 -18.313 -21.223 1.00 35.94 N +ATOM 3542 H GLY A 234 -44.725 -18.374 -20.640 1.00 35.94 H +ATOM 3543 CA GLY A 234 -45.738 -19.567 -21.970 1.00 35.94 C +ATOM 3544 HA2 GLY A 234 -46.319 -20.276 -21.381 1.00 35.94 H +ATOM 3545 HA3 GLY A 234 -46.223 -19.387 -22.929 1.00 35.94 H +ATOM 3546 C GLY A 234 -44.328 -20.124 -22.221 1.00 35.94 C +ATOM 3547 O GLY A 234 -43.516 -19.452 -22.828 1.00 35.94 O +ATOM 3548 N GLY A 235 -43.893 -21.228 -21.623 1.00 31.50 N +ATOM 3549 H GLY A 235 -42.883 -21.229 -21.616 1.00 31.50 H +ATOM 3550 CA GLY A 235 -44.438 -22.563 -21.810 1.00 31.50 C +ATOM 3551 HA2 GLY A 235 -44.596 -23.040 -20.842 1.00 31.50 H +ATOM 3552 HA3 GLY A 235 -45.384 -22.522 -22.351 1.00 31.50 H +ATOM 3553 C GLY A 235 -43.436 -23.373 -22.643 1.00 31.50 C +ATOM 3554 O GLY A 235 -43.234 -23.065 -23.809 1.00 31.50 O +ATOM 3555 N GLY A 236 -42.848 -24.407 -22.037 1.00 32.78 N +ATOM 3556 H GLY A 236 -42.991 -24.509 -21.042 1.00 32.78 H +ATOM 3557 CA GLY A 236 -42.154 -25.510 -22.716 1.00 32.78 C +ATOM 3558 HA2 GLY A 236 -42.232 -25.417 -23.800 1.00 32.78 H +ATOM 3559 HA3 GLY A 236 -42.657 -26.415 -22.375 1.00 32.78 H +ATOM 3560 C GLY A 236 -40.682 -25.664 -22.345 1.00 32.78 C +ATOM 3561 O GLY A 236 -39.907 -24.732 -22.488 1.00 32.78 O +ATOM 3562 N TYR A 237 -40.312 -26.698 -21.583 1.00 34.88 N +ATOM 3563 H TYR A 237 -39.538 -26.380 -21.018 1.00 34.88 H +ATOM 3564 CA TYR A 237 -40.123 -28.123 -21.923 1.00 34.88 C +ATOM 3565 HA TYR A 237 -39.983 -28.591 -20.948 1.00 34.88 H +ATOM 3566 C TYR A 237 -38.806 -28.390 -22.674 1.00 34.88 C +ATOM 3567 CB TYR A 237 -41.348 -28.888 -22.503 1.00 34.88 C +ATOM 3568 HB2 TYR A 237 -42.219 -28.657 -21.889 1.00 34.88 H +ATOM 3569 HB3 TYR A 237 -41.158 -29.953 -22.373 1.00 34.88 H +ATOM 3570 O TYR A 237 -38.599 -27.903 -23.775 1.00 34.88 O +ATOM 3571 CG TYR A 237 -41.704 -28.680 -23.975 1.00 34.88 C +ATOM 3572 CD1 TYR A 237 -42.871 -27.975 -24.334 1.00 34.88 C +ATOM 3573 HD1 TYR A 237 -43.595 -27.691 -23.584 1.00 34.88 H +ATOM 3574 CD2 TYR A 237 -40.897 -29.214 -25.003 1.00 34.88 C +ATOM 3575 HD2 TYR A 237 -40.025 -29.805 -24.765 1.00 34.88 H +ATOM 3576 CE1 TYR A 237 -43.114 -27.617 -25.670 1.00 34.88 C +ATOM 3577 HE1 TYR A 237 -43.977 -27.021 -25.926 1.00 34.88 H +ATOM 3578 CE2 TYR A 237 -41.168 -28.911 -26.352 1.00 34.88 C +ATOM 3579 HE2 TYR A 237 -40.519 -29.270 -27.137 1.00 34.88 H +ATOM 3580 OH TYR A 237 -42.477 -27.729 -27.977 1.00 34.88 O +ATOM 3581 HH TYR A 237 -43.205 -27.110 -28.067 1.00 34.88 H +ATOM 3582 CZ TYR A 237 -42.248 -28.071 -26.683 1.00 34.88 C +ATOM 3583 N GLY A 238 -37.965 -29.254 -22.091 1.00 31.89 N +ATOM 3584 H GLY A 238 -38.139 -29.505 -21.129 1.00 31.89 H +ATOM 3585 CA GLY A 238 -37.103 -30.159 -22.860 1.00 31.89 C +ATOM 3586 HA2 GLY A 238 -37.336 -31.183 -22.569 1.00 31.89 H +ATOM 3587 HA3 GLY A 238 -37.357 -30.077 -23.917 1.00 31.89 H +ATOM 3588 C GLY A 238 -35.585 -29.959 -22.773 1.00 31.89 C +ATOM 3589 O GLY A 238 -35.059 -29.033 -23.369 1.00 31.89 O +ATOM 3590 N GLY A 239 -34.918 -30.938 -22.139 1.00 34.97 N +ATOM 3591 H GLY A 239 -35.486 -31.601 -21.632 1.00 34.97 H +ATOM 3592 CA GLY A 239 -33.536 -31.390 -22.415 1.00 34.97 C +ATOM 3593 HA2 GLY A 239 -33.391 -31.436 -23.494 1.00 34.97 H +ATOM 3594 HA3 GLY A 239 -33.405 -32.400 -22.027 1.00 34.97 H +ATOM 3595 C GLY A 239 -32.428 -30.491 -21.859 1.00 34.97 C +ATOM 3596 O GLY A 239 -32.302 -29.352 -22.269 1.00 34.97 O +ATOM 3597 N SER A 240 -31.605 -30.865 -20.873 1.00 35.91 N +ATOM 3598 H SER A 240 -31.148 -30.046 -20.499 1.00 35.91 H +ATOM 3599 CA SER A 240 -30.796 -32.087 -20.712 1.00 35.91 C +ATOM 3600 HA SER A 240 -30.091 -31.850 -19.915 1.00 35.91 H +ATOM 3601 C SER A 240 -29.949 -32.387 -21.950 1.00 35.91 C +ATOM 3602 CB SER A 240 -31.580 -33.304 -20.210 1.00 35.91 C +ATOM 3603 HB2 SER A 240 -32.388 -32.967 -19.561 1.00 35.91 H +ATOM 3604 HB3 SER A 240 -32.006 -33.850 -21.051 1.00 35.91 H +ATOM 3605 O SER A 240 -30.468 -32.833 -22.970 1.00 35.91 O +ATOM 3606 OG SER A 240 -30.733 -34.159 -19.464 1.00 35.91 O +ATOM 3607 HG SER A 240 -30.328 -33.684 -18.735 1.00 35.91 H +ATOM 3608 N GLY A 241 -28.649 -32.114 -21.840 1.00 37.59 N +ATOM 3609 H GLY A 241 -28.303 -31.721 -20.977 1.00 37.59 H +ATOM 3610 CA GLY A 241 -27.662 -32.367 -22.881 1.00 37.59 C +ATOM 3611 HA2 GLY A 241 -27.441 -33.433 -22.927 1.00 37.59 H +ATOM 3612 HA3 GLY A 241 -28.058 -32.055 -23.848 1.00 37.59 H +ATOM 3613 C GLY A 241 -26.376 -31.595 -22.624 1.00 37.59 C +ATOM 3614 O GLY A 241 -26.224 -30.466 -23.077 1.00 37.59 O +ATOM 3615 N ASP A 242 -25.476 -32.219 -21.871 1.00 35.97 N +ATOM 3616 H ASP A 242 -25.724 -33.114 -21.474 1.00 35.97 H +ATOM 3617 CA ASP A 242 -24.076 -31.843 -21.719 1.00 35.97 C +ATOM 3618 HA ASP A 242 -24.012 -30.944 -21.105 1.00 35.97 H +ATOM 3619 C ASP A 242 -23.406 -31.588 -23.080 1.00 35.97 C +ATOM 3620 CB ASP A 242 -23.370 -32.994 -20.989 1.00 35.97 C +ATOM 3621 HB2 ASP A 242 -23.424 -33.900 -21.591 1.00 35.97 H +ATOM 3622 HB3 ASP A 242 -22.318 -32.738 -20.856 1.00 35.97 H +ATOM 3623 O ASP A 242 -23.481 -32.410 -23.992 1.00 35.97 O +ATOM 3624 CG ASP A 242 -24.003 -33.245 -19.621 1.00 35.97 C +ATOM 3625 OD1 ASP A 242 -23.719 -32.437 -18.711 1.00 35.97 O +ATOM 3626 OD2 ASP A 242 -24.808 -34.199 -19.520 1.00 35.97 O +ATOM 3627 N GLY A 243 -22.731 -30.446 -23.215 1.00 33.69 N +ATOM 3628 H GLY A 243 -22.766 -29.782 -22.454 1.00 33.69 H +ATOM 3629 CA GLY A 243 -22.122 -30.015 -24.471 1.00 33.69 C +ATOM 3630 HA2 GLY A 243 -21.673 -30.868 -24.980 1.00 33.69 H +ATOM 3631 HA3 GLY A 243 -22.897 -29.604 -25.119 1.00 33.69 H +ATOM 3632 C GLY A 243 -21.063 -28.943 -24.250 1.00 33.69 C +ATOM 3633 O GLY A 243 -21.331 -27.749 -24.260 1.00 33.69 O +ATOM 3634 N TYR A 244 -19.855 -29.425 -24.013 1.00 35.47 N +ATOM 3635 H TYR A 244 -19.809 -30.434 -24.039 1.00 35.47 H +ATOM 3636 CA TYR A 244 -18.560 -28.757 -24.054 1.00 35.47 C +ATOM 3637 HA TYR A 244 -18.409 -28.227 -23.114 1.00 35.47 H +ATOM 3638 C TYR A 244 -18.385 -27.752 -25.218 1.00 35.47 C +ATOM 3639 CB TYR A 244 -17.521 -29.899 -24.162 1.00 35.47 C +ATOM 3640 HB2 TYR A 244 -17.396 -30.343 -23.174 1.00 35.47 H +ATOM 3641 HB3 TYR A 244 -16.555 -29.490 -24.457 1.00 35.47 H +ATOM 3642 O TYR A 244 -18.725 -28.028 -26.363 1.00 35.47 O +ATOM 3643 CG TYR A 244 -17.931 -31.006 -25.135 1.00 35.47 C +ATOM 3644 CD1 TYR A 244 -18.738 -32.078 -24.689 1.00 35.47 C +ATOM 3645 HD1 TYR A 244 -18.969 -32.191 -23.640 1.00 35.47 H +ATOM 3646 CD2 TYR A 244 -17.640 -30.884 -26.507 1.00 35.47 C +ATOM 3647 HD2 TYR A 244 -17.065 -30.042 -26.863 1.00 35.47 H +ATOM 3648 CE1 TYR A 244 -19.296 -32.979 -25.616 1.00 35.47 C +ATOM 3649 HE1 TYR A 244 -19.949 -33.774 -25.288 1.00 35.47 H +ATOM 3650 CE2 TYR A 244 -18.173 -31.801 -27.433 1.00 35.47 C +ATOM 3651 HE2 TYR A 244 -17.973 -31.677 -28.487 1.00 35.47 H +ATOM 3652 OH TYR A 244 -19.565 -33.705 -27.883 1.00 35.47 O +ATOM 3653 HH TYR A 244 -19.355 -33.464 -28.788 1.00 35.47 H +ATOM 3654 CZ TYR A 244 -19.018 -32.840 -26.990 1.00 35.47 C +ATOM 3655 N ASN A 245 -17.705 -26.643 -24.901 1.00 36.19 N +ATOM 3656 H ASN A 245 -17.521 -26.515 -23.917 1.00 36.19 H +ATOM 3657 CA ASN A 245 -16.927 -25.765 -25.788 1.00 36.19 C +ATOM 3658 HA ASN A 245 -16.571 -24.945 -25.164 1.00 36.19 H +ATOM 3659 C ASN A 245 -17.657 -25.083 -26.962 1.00 36.19 C +ATOM 3660 CB ASN A 245 -15.665 -26.521 -26.246 1.00 36.19 C +ATOM 3661 HB2 ASN A 245 -15.968 -27.378 -26.847 1.00 36.19 H +ATOM 3662 HB3 ASN A 245 -15.060 -25.867 -26.874 1.00 36.19 H +ATOM 3663 O ASN A 245 -17.596 -25.533 -28.102 1.00 36.19 O +ATOM 3664 CG ASN A 245 -14.802 -26.992 -25.092 1.00 36.19 C +ATOM 3665 ND2 ASN A 245 -14.017 -28.023 -25.297 1.00 36.19 N +ATOM 3666 HD21 ASN A 245 -14.004 -28.482 -26.197 1.00 36.19 H +ATOM 3667 HD22 ASN A 245 -13.462 -28.325 -24.510 1.00 36.19 H +ATOM 3668 OD1 ASN A 245 -14.821 -26.459 -23.996 1.00 36.19 O +ATOM 3669 N GLY A 246 -18.191 -23.887 -26.700 1.00 34.38 N +ATOM 3670 H GLY A 246 -18.262 -23.589 -25.737 1.00 34.38 H +ATOM 3671 CA GLY A 246 -18.519 -22.894 -27.722 1.00 34.38 C +ATOM 3672 HA2 GLY A 246 -19.601 -22.776 -27.775 1.00 34.38 H +ATOM 3673 HA3 GLY A 246 -18.164 -23.212 -28.703 1.00 34.38 H +ATOM 3674 C GLY A 246 -17.906 -21.542 -27.370 1.00 34.38 C +ATOM 3675 O GLY A 246 -18.372 -20.858 -26.466 1.00 34.38 O +ATOM 3676 N PHE A 247 -16.846 -21.171 -28.082 1.00 33.62 N +ATOM 3677 H PHE A 247 -16.535 -21.799 -28.809 1.00 33.62 H +ATOM 3678 CA PHE A 247 -16.335 -19.808 -28.138 1.00 33.62 C +ATOM 3679 HA PHE A 247 -16.189 -19.417 -27.132 1.00 33.62 H +ATOM 3680 C PHE A 247 -17.352 -18.925 -28.890 1.00 33.62 C +ATOM 3681 CB PHE A 247 -14.990 -19.825 -28.893 1.00 33.62 C +ATOM 3682 HB2 PHE A 247 -15.139 -20.273 -29.875 1.00 33.62 H +ATOM 3683 HB3 PHE A 247 -14.692 -18.790 -29.066 1.00 33.62 H +ATOM 3684 O PHE A 247 -17.561 -19.128 -30.082 1.00 33.62 O +ATOM 3685 CG PHE A 247 -13.832 -20.542 -28.214 1.00 33.62 C +ATOM 3686 CD1 PHE A 247 -12.867 -19.795 -27.513 1.00 33.62 C +ATOM 3687 HD1 PHE A 247 -12.970 -18.724 -27.430 1.00 33.62 H +ATOM 3688 CD2 PHE A 247 -13.677 -21.939 -28.328 1.00 33.62 C +ATOM 3689 HD2 PHE A 247 -14.398 -22.521 -28.884 1.00 33.62 H +ATOM 3690 CE1 PHE A 247 -11.762 -20.436 -26.924 1.00 33.62 C +ATOM 3691 HE1 PHE A 247 -11.025 -19.856 -26.389 1.00 33.62 H +ATOM 3692 CE2 PHE A 247 -12.576 -22.582 -27.733 1.00 33.62 C +ATOM 3693 HE2 PHE A 247 -12.462 -23.652 -27.823 1.00 33.62 H +ATOM 3694 CZ PHE A 247 -11.617 -21.830 -27.031 1.00 33.62 C +ATOM 3695 HZ PHE A 247 -10.770 -22.322 -26.577 1.00 33.62 H +ATOM 3696 N GLY A 248 -17.946 -17.934 -28.227 1.00 38.34 N +ATOM 3697 H GLY A 248 -17.844 -17.901 -27.223 1.00 38.34 H +ATOM 3698 CA GLY A 248 -18.508 -16.722 -28.847 1.00 38.34 C +ATOM 3699 HA2 GLY A 248 -18.215 -16.640 -29.894 1.00 38.34 H +ATOM 3700 HA3 GLY A 248 -19.595 -16.713 -28.771 1.00 38.34 H +ATOM 3701 C GLY A 248 -17.936 -15.554 -28.046 1.00 38.34 C +ATOM 3702 O GLY A 248 -18.030 -15.563 -26.825 1.00 38.34 O +ATOM 3703 N ASN A 249 -17.108 -14.653 -28.569 1.00 38.53 N +ATOM 3704 H ASN A 249 -16.576 -14.213 -27.832 1.00 38.53 H +ATOM 3705 CA ASN A 249 -17.259 -13.787 -29.737 1.00 38.53 C +ATOM 3706 HA ASN A 249 -16.555 -12.981 -29.531 1.00 38.53 H +ATOM 3707 C ASN A 249 -18.612 -13.072 -29.805 1.00 38.53 C +ATOM 3708 CB ASN A 249 -16.778 -14.384 -31.074 1.00 38.53 C +ATOM 3709 HB2 ASN A 249 -15.924 -15.038 -30.897 1.00 38.53 H +ATOM 3710 HB3 ASN A 249 -17.578 -14.965 -31.533 1.00 38.53 H +ATOM 3711 O ASN A 249 -19.444 -13.412 -30.629 1.00 38.53 O +ATOM 3712 CG ASN A 249 -16.338 -13.280 -32.039 1.00 38.53 C +ATOM 3713 ND2 ASN A 249 -15.917 -13.634 -33.229 1.00 38.53 N +ATOM 3714 HD21 ASN A 249 -16.006 -14.593 -33.534 1.00 38.53 H +ATOM 3715 HD22 ASN A 249 -15.678 -12.871 -33.848 1.00 38.53 H +ATOM 3716 OD1 ASN A 249 -16.291 -12.099 -31.736 1.00 38.53 O +ATOM 3717 N ASP A 250 -18.753 -12.068 -28.942 1.00 41.69 N +ATOM 3718 H ASP A 250 -18.091 -12.007 -28.182 1.00 41.69 H +ATOM 3719 CA ASP A 250 -19.493 -10.827 -29.166 1.00 41.69 C +ATOM 3720 HA ASP A 250 -19.621 -10.650 -30.234 1.00 41.69 H +ATOM 3721 C ASP A 250 -18.590 -9.739 -28.541 1.00 41.69 C +ATOM 3722 CB ASP A 250 -20.872 -10.885 -28.488 1.00 41.69 C +ATOM 3723 HB2 ASP A 250 -20.746 -11.183 -27.448 1.00 41.69 H +ATOM 3724 HB3 ASP A 250 -21.299 -9.882 -28.497 1.00 41.69 H +ATOM 3725 O ASP A 250 -18.165 -9.866 -27.397 1.00 41.69 O +ATOM 3726 CG ASP A 250 -21.858 -11.830 -29.185 1.00 41.69 C +ATOM 3727 OD1 ASP A 250 -22.014 -11.683 -30.418 1.00 41.69 O +ATOM 3728 OD2 ASP A 250 -22.500 -12.627 -28.463 1.00 41.69 O +ATOM 3729 N GLY A 251 -18.102 -8.705 -29.217 1.00 33.66 N +ATOM 3730 H GLY A 251 -17.388 -8.220 -28.692 1.00 33.66 H +ATOM 3731 CA GLY A 251 -18.753 -7.941 -30.265 1.00 33.66 C +ATOM 3732 HA2 GLY A 251 -18.060 -7.781 -31.091 1.00 33.66 H +ATOM 3733 HA3 GLY A 251 -19.635 -8.465 -30.633 1.00 33.66 H +ATOM 3734 C GLY A 251 -19.189 -6.593 -29.690 1.00 33.66 C +ATOM 3735 O GLY A 251 -20.377 -6.345 -29.542 1.00 33.66 O +ATOM 3736 N SER A 252 -18.244 -5.705 -29.357 1.00 39.91 N +ATOM 3737 H SER A 252 -17.274 -5.983 -29.388 1.00 39.91 H +ATOM 3738 CA SER A 252 -18.556 -4.283 -29.147 1.00 39.91 C +ATOM 3739 HA SER A 252 -19.433 -4.049 -29.750 1.00 39.91 H +ATOM 3740 C SER A 252 -17.414 -3.394 -29.641 1.00 39.91 C +ATOM 3741 CB SER A 252 -18.975 -3.973 -27.707 1.00 39.91 C +ATOM 3742 HB2 SER A 252 -19.820 -4.602 -27.430 1.00 39.91 H +ATOM 3743 HB3 SER A 252 -19.285 -2.930 -27.645 1.00 39.91 H +ATOM 3744 O SER A 252 -16.377 -3.231 -29.002 1.00 39.91 O +ATOM 3745 OG SER A 252 -17.917 -4.193 -26.804 1.00 39.91 O +ATOM 3746 HG SER A 252 -17.123 -3.809 -27.183 1.00 39.91 H +ATOM 3747 N ASN A 253 -17.656 -2.876 -30.838 1.00 32.97 N +ATOM 3748 H ASN A 253 -18.568 -3.093 -31.214 1.00 32.97 H +ATOM 3749 CA ASN A 253 -16.875 -1.977 -31.669 1.00 32.97 C +ATOM 3750 HA ASN A 253 -15.811 -2.207 -31.614 1.00 32.97 H +ATOM 3751 C ASN A 253 -17.119 -0.508 -31.279 1.00 32.97 C +ATOM 3752 CB ASN A 253 -17.419 -2.262 -33.090 1.00 32.97 C +ATOM 3753 HB2 ASN A 253 -18.509 -2.274 -33.058 1.00 32.97 H +ATOM 3754 HB3 ASN A 253 -17.082 -3.245 -33.419 1.00 32.97 H +ATOM 3755 O ASN A 253 -18.253 -0.076 -31.413 1.00 32.97 O +ATOM 3756 CG ASN A 253 -17.015 -1.253 -34.145 1.00 32.97 C +ATOM 3757 ND2 ASN A 253 -17.909 -0.911 -35.046 1.00 32.97 N +ATOM 3758 HD21 ASN A 253 -18.854 -1.263 -34.991 1.00 32.97 H +ATOM 3759 HD22 ASN A 253 -17.614 -0.234 -35.735 1.00 32.97 H +ATOM 3760 OD1 ASN A 253 -15.896 -0.778 -34.188 1.00 32.97 O +ATOM 3761 N PHE A 254 -16.075 0.226 -30.876 1.00 38.75 N +ATOM 3762 H PHE A 254 -15.252 -0.292 -30.602 1.00 38.75 H +ATOM 3763 CA PHE A 254 -15.835 1.677 -31.055 1.00 38.75 C +ATOM 3764 HA PHE A 254 -16.001 1.964 -32.093 1.00 38.75 H +ATOM 3765 C PHE A 254 -14.357 1.901 -30.670 1.00 38.75 C +ATOM 3766 CB PHE A 254 -16.692 2.556 -30.108 1.00 38.75 C +ATOM 3767 HB2 PHE A 254 -16.363 3.589 -30.223 1.00 38.75 H +ATOM 3768 HB3 PHE A 254 -16.473 2.272 -29.079 1.00 38.75 H +ATOM 3769 O PHE A 254 -13.954 1.465 -29.602 1.00 38.75 O +ATOM 3770 CG PHE A 254 -18.200 2.539 -30.298 1.00 38.75 C +ATOM 3771 CD1 PHE A 254 -18.794 3.207 -31.386 1.00 38.75 C +ATOM 3772 HD1 PHE A 254 -18.178 3.754 -32.084 1.00 38.75 H +ATOM 3773 CD2 PHE A 254 -19.015 1.830 -29.391 1.00 38.75 C +ATOM 3774 HD2 PHE A 254 -18.565 1.305 -28.561 1.00 38.75 H +ATOM 3775 CE1 PHE A 254 -20.187 3.143 -31.581 1.00 38.75 C +ATOM 3776 HE1 PHE A 254 -20.638 3.647 -32.423 1.00 38.75 H +ATOM 3777 CE2 PHE A 254 -20.404 1.751 -29.596 1.00 38.75 C +ATOM 3778 HE2 PHE A 254 -21.017 1.180 -28.915 1.00 38.75 H +ATOM 3779 CZ PHE A 254 -20.990 2.406 -30.692 1.00 38.75 C +ATOM 3780 HZ PHE A 254 -22.056 2.344 -30.851 1.00 38.75 H +ATOM 3781 N GLY A 255 -13.443 2.534 -31.394 1.00 33.31 N +ATOM 3782 H GLY A 255 -12.581 2.628 -30.876 1.00 33.31 H +ATOM 3783 CA GLY A 255 -13.400 3.212 -32.677 1.00 33.31 C +ATOM 3784 HA2 GLY A 255 -13.445 2.481 -33.484 1.00 33.31 H +ATOM 3785 HA3 GLY A 255 -14.217 3.927 -32.768 1.00 33.31 H +ATOM 3786 C GLY A 255 -12.053 3.959 -32.717 1.00 33.31 C +ATOM 3787 O GLY A 255 -11.562 4.385 -31.674 1.00 33.31 O +ATOM 3788 N GLY A 256 -11.471 4.134 -33.907 1.00 30.38 N +ATOM 3789 H GLY A 256 -11.886 3.677 -34.706 1.00 30.38 H +ATOM 3790 CA GLY A 256 -10.516 5.221 -34.160 1.00 30.38 C +ATOM 3791 HA2 GLY A 256 -10.849 5.772 -35.039 1.00 30.38 H +ATOM 3792 HA3 GLY A 256 -10.551 5.926 -33.329 1.00 30.38 H +ATOM 3793 C GLY A 256 -9.040 4.859 -34.356 1.00 30.38 C +ATOM 3794 O GLY A 256 -8.253 4.930 -33.423 1.00 30.38 O +ATOM 3795 N GLY A 257 -8.665 4.667 -35.627 1.00 28.72 N +ATOM 3796 H GLY A 257 -9.406 4.439 -36.274 1.00 28.72 H +ATOM 3797 CA GLY A 257 -7.518 5.370 -36.220 1.00 28.72 C +ATOM 3798 HA2 GLY A 257 -7.790 5.676 -37.231 1.00 28.72 H +ATOM 3799 HA3 GLY A 257 -7.342 6.284 -35.653 1.00 28.72 H +ATOM 3800 C GLY A 257 -6.175 4.637 -36.283 1.00 28.72 C +ATOM 3801 O GLY A 257 -5.492 4.492 -35.278 1.00 28.72 O +ATOM 3802 N GLY A 258 -5.737 4.300 -37.502 1.00 35.38 N +ATOM 3803 H GLY A 258 -6.370 4.380 -38.284 1.00 35.38 H +ATOM 3804 CA GLY A 258 -4.327 4.001 -37.779 1.00 35.38 C +ATOM 3805 HA2 GLY A 258 -3.875 3.533 -36.905 1.00 35.38 H +ATOM 3806 HA3 GLY A 258 -3.791 4.931 -37.968 1.00 35.38 H +ATOM 3807 C GLY A 258 -4.106 3.056 -38.955 1.00 35.38 C +ATOM 3808 O GLY A 258 -3.895 1.866 -38.761 1.00 35.38 O +ATOM 3809 N ASN A 259 -4.162 3.593 -40.173 1.00 29.33 N +ATOM 3810 H ASN A 259 -4.301 4.592 -40.232 1.00 29.33 H +ATOM 3811 CA ASN A 259 -3.809 2.898 -41.410 1.00 29.33 C +ATOM 3812 HA ASN A 259 -4.348 1.952 -41.444 1.00 29.33 H +ATOM 3813 C ASN A 259 -2.300 2.581 -41.519 1.00 29.33 C +ATOM 3814 CB ASN A 259 -4.223 3.779 -42.613 1.00 29.33 C +ATOM 3815 HB2 ASN A 259 -4.139 4.838 -42.366 1.00 29.33 H +ATOM 3816 HB3 ASN A 259 -3.530 3.582 -43.431 1.00 29.33 H +ATOM 3817 O ASN A 259 -1.463 3.308 -40.992 1.00 29.33 O +ATOM 3818 CG ASN A 259 -5.582 3.501 -43.213 1.00 29.33 C +ATOM 3819 ND2 ASN A 259 -5.888 4.137 -44.322 1.00 29.33 N +ATOM 3820 HD21 ASN A 259 -6.786 3.914 -44.727 1.00 29.33 H +ATOM 3821 HD22 ASN A 259 -5.217 4.736 -44.781 1.00 29.33 H +ATOM 3822 OD1 ASN A 259 -6.362 2.699 -42.741 1.00 29.33 O +ATOM 3823 N TYR A 260 -2.030 1.588 -42.380 1.00 31.44 N +ATOM 3824 H TYR A 260 -2.847 1.092 -42.705 1.00 31.44 H +ATOM 3825 CA TYR A 260 -0.771 1.207 -43.046 1.00 31.44 C +ATOM 3826 HA TYR A 260 -1.079 0.579 -43.882 1.00 31.44 H +ATOM 3827 C TYR A 260 0.224 0.345 -42.246 1.00 31.44 C +ATOM 3828 CB TYR A 260 -0.074 2.412 -43.710 1.00 31.44 C +ATOM 3829 HB2 TYR A 260 0.707 2.037 -44.372 1.00 31.44 H +ATOM 3830 HB3 TYR A 260 0.425 2.995 -42.936 1.00 31.44 H +ATOM 3831 O TYR A 260 1.100 0.850 -41.558 1.00 31.44 O +ATOM 3832 CG TYR A 260 -0.971 3.341 -44.510 1.00 31.44 C +ATOM 3833 CD1 TYR A 260 -1.547 2.913 -45.722 1.00 31.44 C +ATOM 3834 HD1 TYR A 260 -1.326 1.929 -46.108 1.00 31.44 H +ATOM 3835 CD2 TYR A 260 -1.234 4.639 -44.027 1.00 31.44 C +ATOM 3836 HD2 TYR A 260 -0.786 4.963 -43.099 1.00 31.44 H +ATOM 3837 CE1 TYR A 260 -2.410 3.771 -46.433 1.00 31.44 C +ATOM 3838 HE1 TYR A 260 -2.862 3.453 -47.361 1.00 31.44 H +ATOM 3839 CE2 TYR A 260 -2.087 5.503 -44.739 1.00 31.44 C +ATOM 3840 HE2 TYR A 260 -2.283 6.495 -44.361 1.00 31.44 H +ATOM 3841 OH TYR A 260 -3.536 5.878 -46.612 1.00 31.44 O +ATOM 3842 HH TYR A 260 -3.528 6.775 -46.270 1.00 31.44 H +ATOM 3843 CZ TYR A 260 -2.682 5.064 -45.941 1.00 31.44 C +ATOM 3844 N ASN A 261 0.213 -0.972 -42.479 1.00 36.59 N +ATOM 3845 H ASN A 261 -0.698 -1.398 -42.569 1.00 36.59 H +ATOM 3846 CA ASN A 261 1.219 -1.562 -43.368 1.00 36.59 C +ATOM 3847 HA ASN A 261 1.127 -1.023 -44.310 1.00 36.59 H +ATOM 3848 C ASN A 261 0.918 -3.028 -43.697 1.00 36.59 C +ATOM 3849 CB ASN A 261 2.666 -1.396 -42.850 1.00 36.59 C +ATOM 3850 HB2 ASN A 261 2.666 -1.189 -41.780 1.00 36.59 H +ATOM 3851 HB3 ASN A 261 3.223 -2.321 -43.000 1.00 36.59 H +ATOM 3852 O ASN A 261 0.690 -3.878 -42.844 1.00 36.59 O +ATOM 3853 CG ASN A 261 3.425 -0.301 -43.590 1.00 36.59 C +ATOM 3854 ND2 ASN A 261 4.480 0.220 -43.013 1.00 36.59 N +ATOM 3855 HD21 ASN A 261 4.946 0.960 -43.518 1.00 36.59 H +ATOM 3856 HD22 ASN A 261 4.709 -0.026 -42.060 1.00 36.59 H +ATOM 3857 OD1 ASN A 261 3.108 0.074 -44.708 1.00 36.59 O +ATOM 3858 N ASN A 262 0.930 -3.273 -44.997 1.00 32.75 N +ATOM 3859 H ASN A 262 1.216 -2.502 -45.585 1.00 32.75 H +ATOM 3860 CA ASN A 262 0.836 -4.547 -45.672 1.00 32.75 C +ATOM 3861 HA ASN A 262 0.015 -5.141 -45.269 1.00 32.75 H +ATOM 3862 C ASN A 262 2.163 -5.299 -45.502 1.00 32.75 C +ATOM 3863 CB ASN A 262 0.549 -4.139 -47.133 1.00 32.75 C +ATOM 3864 HB2 ASN A 262 1.380 -3.548 -47.518 1.00 32.75 H +ATOM 3865 HB3 ASN A 262 -0.344 -3.514 -47.145 1.00 32.75 H +ATOM 3866 O ASN A 262 3.183 -4.821 -45.989 1.00 32.75 O +ATOM 3867 CG ASN A 262 0.323 -5.270 -48.110 1.00 32.75 C +ATOM 3868 ND2 ASN A 262 -0.408 -5.002 -49.167 1.00 32.75 N +ATOM 3869 HD21 ASN A 262 -0.761 -4.071 -49.335 1.00 32.75 H +ATOM 3870 HD22 ASN A 262 -0.524 -5.761 -49.823 1.00 32.75 H +ATOM 3871 OD1 ASN A 262 0.777 -6.387 -47.951 1.00 32.75 O +ATOM 3872 N GLN A 263 2.153 -6.456 -44.838 1.00 36.75 N +ATOM 3873 H GLN A 263 1.316 -6.719 -44.338 1.00 36.75 H +ATOM 3874 CA GLN A 263 3.149 -7.503 -45.065 1.00 36.75 C +ATOM 3875 HA GLN A 263 3.556 -7.372 -46.068 1.00 36.75 H +ATOM 3876 C GLN A 263 2.454 -8.863 -45.055 1.00 36.75 C +ATOM 3877 CB GLN A 263 4.339 -7.433 -44.093 1.00 36.75 C +ATOM 3878 HB2 GLN A 263 3.985 -7.359 -43.065 1.00 36.75 H +ATOM 3879 HB3 GLN A 263 4.918 -8.351 -44.197 1.00 36.75 H +ATOM 3880 O GLN A 263 2.175 -9.466 -44.023 1.00 36.75 O +ATOM 3881 CG GLN A 263 5.259 -6.244 -44.425 1.00 36.75 C +ATOM 3882 HG2 GLN A 263 5.435 -6.217 -45.500 1.00 36.75 H +ATOM 3883 HG3 GLN A 263 4.770 -5.316 -44.125 1.00 36.75 H +ATOM 3884 CD GLN A 263 6.611 -6.280 -43.733 1.00 36.75 C +ATOM 3885 NE2 GLN A 263 7.570 -5.519 -44.214 1.00 36.75 N +ATOM 3886 HE21 GLN A 263 7.403 -4.927 -45.015 1.00 36.75 H +ATOM 3887 HE22 GLN A 263 8.453 -5.566 -43.726 1.00 36.75 H +ATOM 3888 OE1 GLN A 263 6.841 -6.969 -42.758 1.00 36.75 O +ATOM 3889 N SER A 264 2.157 -9.322 -46.264 1.00 33.19 N +ATOM 3890 H SER A 264 2.312 -8.705 -47.048 1.00 33.19 H +ATOM 3891 CA SER A 264 1.919 -10.714 -46.600 1.00 33.19 C +ATOM 3892 HA SER A 264 1.118 -11.115 -45.978 1.00 33.19 H +ATOM 3893 C SER A 264 3.196 -11.543 -46.413 1.00 33.19 C +ATOM 3894 CB SER A 264 1.502 -10.765 -48.077 1.00 33.19 C +ATOM 3895 HB2 SER A 264 1.383 -11.803 -48.387 1.00 33.19 H +ATOM 3896 HB3 SER A 264 0.552 -10.247 -48.206 1.00 33.19 H +ATOM 3897 O SER A 264 4.193 -11.302 -47.092 1.00 33.19 O +ATOM 3898 OG SER A 264 2.488 -10.139 -48.883 1.00 33.19 O +ATOM 3899 HG SER A 264 3.347 -10.439 -48.578 1.00 33.19 H +ATOM 3900 N SER A 265 3.141 -12.582 -45.587 1.00 42.03 N +ATOM 3901 H SER A 265 2.414 -12.609 -44.887 1.00 42.03 H +ATOM 3902 CA SER A 265 4.051 -13.731 -45.672 1.00 42.03 C +ATOM 3903 HA SER A 265 4.323 -13.867 -46.719 1.00 42.03 H +ATOM 3904 C SER A 265 3.324 -15.011 -45.252 1.00 42.03 C +ATOM 3905 CB SER A 265 5.376 -13.499 -44.936 1.00 42.03 C +ATOM 3906 HB2 SER A 265 5.934 -14.434 -44.884 1.00 42.03 H +ATOM 3907 HB3 SER A 265 5.963 -12.773 -45.498 1.00 42.03 H +ATOM 3908 O SER A 265 3.452 -15.542 -44.159 1.00 42.03 O +ATOM 3909 OG SER A 265 5.166 -12.994 -43.637 1.00 42.03 O +ATOM 3910 HG SER A 265 6.011 -12.780 -43.236 1.00 42.03 H +ATOM 3911 N ASN A 266 2.477 -15.468 -46.170 1.00 33.44 N +ATOM 3912 H ASN A 266 2.215 -14.780 -46.862 1.00 33.44 H +ATOM 3913 CA ASN A 266 2.467 -16.829 -46.698 1.00 33.44 C +ATOM 3914 HA ASN A 266 1.421 -17.108 -46.825 1.00 33.44 H +ATOM 3915 C ASN A 266 3.124 -17.925 -45.820 1.00 33.44 C +ATOM 3916 CB ASN A 266 3.118 -16.723 -48.102 1.00 33.44 C +ATOM 3917 HB2 ASN A 266 2.993 -15.718 -48.506 1.00 33.44 H +ATOM 3918 HB3 ASN A 266 4.191 -16.908 -48.049 1.00 33.44 H +ATOM 3919 O ASN A 266 4.291 -18.256 -46.006 1.00 33.44 O +ATOM 3920 CG ASN A 266 2.474 -17.636 -49.120 1.00 33.44 C +ATOM 3921 ND2 ASN A 266 3.243 -18.386 -49.873 1.00 33.44 N +ATOM 3922 HD21 ASN A 266 2.778 -18.943 -50.575 1.00 33.44 H +ATOM 3923 HD22 ASN A 266 4.246 -18.372 -49.751 1.00 33.44 H +ATOM 3924 OD1 ASN A 266 1.268 -17.655 -49.273 1.00 33.44 O +ATOM 3925 N PHE A 267 2.338 -18.577 -44.963 1.00 36.78 N +ATOM 3926 H PHE A 267 1.432 -18.189 -44.744 1.00 36.78 H +ATOM 3927 CA PHE A 267 2.550 -19.987 -44.627 1.00 36.78 C +ATOM 3928 HA PHE A 267 3.289 -20.403 -45.311 1.00 36.78 H +ATOM 3929 C PHE A 267 1.243 -20.736 -44.875 1.00 36.78 C +ATOM 3930 CB PHE A 267 3.117 -20.179 -43.214 1.00 36.78 C +ATOM 3931 HB2 PHE A 267 2.825 -21.163 -42.849 1.00 36.78 H +ATOM 3932 HB3 PHE A 267 2.688 -19.439 -42.539 1.00 36.78 H +ATOM 3933 O PHE A 267 0.237 -20.525 -44.201 1.00 36.78 O +ATOM 3934 CG PHE A 267 4.633 -20.100 -43.186 1.00 36.78 C +ATOM 3935 CD1 PHE A 267 5.406 -21.244 -43.471 1.00 36.78 C +ATOM 3936 HD1 PHE A 267 4.919 -22.185 -43.680 1.00 36.78 H +ATOM 3937 CD2 PHE A 267 5.274 -18.874 -42.929 1.00 36.78 C +ATOM 3938 HD2 PHE A 267 4.688 -17.986 -42.745 1.00 36.78 H +ATOM 3939 CE1 PHE A 267 6.811 -21.163 -43.490 1.00 36.78 C +ATOM 3940 HE1 PHE A 267 7.402 -22.040 -43.710 1.00 36.78 H +ATOM 3941 CE2 PHE A 267 6.678 -18.795 -42.943 1.00 36.78 C +ATOM 3942 HE2 PHE A 267 7.163 -17.849 -42.753 1.00 36.78 H +ATOM 3943 CZ PHE A 267 7.446 -19.938 -43.223 1.00 36.78 C +ATOM 3944 HZ PHE A 267 8.524 -19.872 -43.239 1.00 36.78 H +ATOM 3945 N GLY A 268 1.266 -21.555 -45.926 1.00 35.88 N +ATOM 3946 H GLY A 268 2.138 -21.649 -46.426 1.00 35.88 H +ATOM 3947 CA GLY A 268 0.163 -22.416 -46.328 1.00 35.88 C +ATOM 3948 HA2 GLY A 268 -0.730 -21.800 -46.434 1.00 35.88 H +ATOM 3949 HA3 GLY A 268 0.388 -22.871 -47.292 1.00 35.88 H +ATOM 3950 C GLY A 268 -0.125 -23.531 -45.313 1.00 35.88 C +ATOM 3951 O GLY A 268 0.667 -23.787 -44.403 1.00 35.88 O +ATOM 3952 N PRO A 269 -1.273 -24.207 -45.467 1.00 43.16 N +ATOM 3953 CA PRO A 269 -1.806 -25.134 -44.479 1.00 43.16 C +ATOM 3954 HA PRO A 269 -1.820 -24.654 -43.501 1.00 43.16 H +ATOM 3955 C PRO A 269 -0.958 -26.406 -44.399 1.00 43.16 C +ATOM 3956 CB PRO A 269 -3.249 -25.402 -44.922 1.00 43.16 C +ATOM 3957 HB2 PRO A 269 -3.908 -24.662 -44.469 1.00 43.16 H +ATOM 3958 HB3 PRO A 269 -3.580 -26.408 -44.664 1.00 43.16 H +ATOM 3959 O PRO A 269 -0.796 -27.140 -45.377 1.00 43.16 O +ATOM 3960 CG PRO A 269 -3.210 -25.187 -46.436 1.00 43.16 C +ATOM 3961 HG2 PRO A 269 -2.868 -26.098 -46.928 1.00 43.16 H +ATOM 3962 HG3 PRO A 269 -4.182 -24.884 -46.826 1.00 43.16 H +ATOM 3963 CD PRO A 269 -2.166 -24.090 -46.607 1.00 43.16 C +ATOM 3964 HD2 PRO A 269 -2.656 -23.117 -46.587 1.00 43.16 H +ATOM 3965 HD3 PRO A 269 -1.632 -24.225 -47.548 1.00 43.16 H +ATOM 3966 N MET A 270 -0.436 -26.695 -43.206 1.00 37.31 N +ATOM 3967 H MET A 270 -0.561 -26.040 -42.448 1.00 37.31 H +ATOM 3968 CA MET A 270 0.210 -27.970 -42.929 1.00 37.31 C +ATOM 3969 HA MET A 270 0.921 -28.168 -43.731 1.00 37.31 H +ATOM 3970 C MET A 270 -0.827 -29.095 -42.933 1.00 37.31 C +ATOM 3971 CB MET A 270 1.014 -27.930 -41.624 1.00 37.31 C +ATOM 3972 HB2 MET A 270 0.405 -27.520 -40.818 1.00 37.31 H +ATOM 3973 HB3 MET A 270 1.300 -28.947 -41.358 1.00 37.31 H +ATOM 3974 O MET A 270 -1.660 -29.240 -42.043 1.00 37.31 O +ATOM 3975 CG MET A 270 2.293 -27.103 -41.788 1.00 37.31 C +ATOM 3976 HG2 MET A 270 2.028 -26.060 -41.963 1.00 37.31 H +ATOM 3977 HG3 MET A 270 2.837 -27.470 -42.658 1.00 37.31 H +ATOM 3978 SD MET A 270 3.395 -27.197 -40.355 1.00 37.31 S +ATOM 3979 CE MET A 270 4.831 -26.302 -41.006 1.00 37.31 C +ATOM 3980 HE1 MET A 270 5.609 -26.262 -40.244 1.00 37.31 H +ATOM 3981 HE2 MET A 270 4.539 -25.287 -41.275 1.00 37.31 H +ATOM 3982 HE3 MET A 270 5.216 -26.815 -41.888 1.00 37.31 H +ATOM 3983 N LYS A 271 -0.714 -29.908 -43.979 1.00 33.12 N +ATOM 3984 H LYS A 271 -0.124 -29.549 -44.716 1.00 33.12 H +ATOM 3985 CA LYS A 271 -1.139 -31.299 -44.108 1.00 33.12 C +ATOM 3986 HA LYS A 271 -2.220 -31.349 -44.236 1.00 33.12 H +ATOM 3987 C LYS A 271 -0.733 -32.112 -42.862 1.00 33.12 C +ATOM 3988 CB LYS A 271 -0.416 -31.765 -45.389 1.00 33.12 C +ATOM 3989 HB2 LYS A 271 0.656 -31.642 -45.236 1.00 33.12 H +ATOM 3990 HB3 LYS A 271 -0.706 -31.094 -46.198 1.00 33.12 H +ATOM 3991 O LYS A 271 0.392 -32.587 -42.775 1.00 33.12 O +ATOM 3992 CG LYS A 271 -0.666 -33.198 -45.873 1.00 33.12 C +ATOM 3993 HG2 LYS A 271 -1.713 -33.313 -46.153 1.00 33.12 H +ATOM 3994 HG3 LYS A 271 -0.421 -33.908 -45.083 1.00 33.12 H +ATOM 3995 CD LYS A 271 0.241 -33.452 -47.091 1.00 33.12 C +ATOM 3996 HD2 LYS A 271 0.018 -32.712 -47.860 1.00 33.12 H +ATOM 3997 HD3 LYS A 271 1.280 -33.335 -46.784 1.00 33.12 H +ATOM 3998 CE LYS A 271 0.042 -34.855 -47.670 1.00 33.12 C +ATOM 3999 HE2 LYS A 271 -0.994 -34.955 -47.993 1.00 33.12 H +ATOM 4000 HE3 LYS A 271 0.218 -35.583 -46.878 1.00 33.12 H +ATOM 4001 NZ LYS A 271 0.964 -35.106 -48.809 1.00 33.12 N +ATOM 4002 HZ1 LYS A 271 0.825 -36.033 -49.184 1.00 33.12 H +ATOM 4003 HZ2 LYS A 271 0.804 -34.437 -49.549 1.00 33.12 H +ATOM 4004 HZ3 LYS A 271 1.926 -35.024 -48.511 1.00 33.12 H +ATOM 4005 N GLY A 272 -1.654 -32.303 -41.924 1.00 36.69 N +ATOM 4006 H GLY A 272 -2.502 -31.756 -41.978 1.00 36.69 H +ATOM 4007 CA GLY A 272 -1.608 -33.353 -40.901 1.00 36.69 C +ATOM 4008 HA2 GLY A 272 -0.764 -34.024 -41.061 1.00 36.69 H +ATOM 4009 HA3 GLY A 272 -1.537 -32.908 -39.908 1.00 36.69 H +ATOM 4010 C GLY A 272 -2.920 -34.120 -41.015 1.00 36.69 C +ATOM 4011 O GLY A 272 -3.986 -33.533 -40.926 1.00 36.69 O +ATOM 4012 N GLY A 273 -2.940 -35.389 -41.387 1.00 34.12 N +ATOM 4013 H GLY A 273 -3.861 -35.643 -41.715 1.00 34.12 H +ATOM 4014 CA GLY A 273 -2.278 -36.453 -40.651 1.00 34.12 C +ATOM 4015 HA2 GLY A 273 -1.569 -36.982 -41.287 1.00 34.12 H +ATOM 4016 HA3 GLY A 273 -1.765 -36.063 -39.772 1.00 34.12 H +ATOM 4017 C GLY A 273 -3.390 -37.389 -40.196 1.00 34.12 C +ATOM 4018 O GLY A 273 -3.968 -37.227 -39.131 1.00 34.12 O +ATOM 4019 N ASN A 274 -3.734 -38.308 -41.091 1.00 34.59 N +ATOM 4020 H ASN A 274 -3.206 -38.315 -41.952 1.00 34.59 H +ATOM 4021 CA ASN A 274 -4.680 -39.395 -40.921 1.00 34.59 C +ATOM 4022 HA ASN A 274 -5.694 -39.004 -40.834 1.00 34.59 H +ATOM 4023 C ASN A 274 -4.348 -40.232 -39.671 1.00 34.59 C +ATOM 4024 CB ASN A 274 -4.538 -40.197 -42.234 1.00 34.59 C +ATOM 4025 HB2 ASN A 274 -3.499 -40.497 -42.369 1.00 34.59 H +ATOM 4026 HB3 ASN A 274 -4.816 -39.558 -43.072 1.00 34.59 H +ATOM 4027 O ASN A 274 -3.448 -41.068 -39.725 1.00 34.59 O +ATOM 4028 CG ASN A 274 -5.388 -41.444 -42.327 1.00 34.59 C +ATOM 4029 ND2 ASN A 274 -4.937 -42.546 -41.777 1.00 34.59 N +ATOM 4030 HD21 ASN A 274 -5.492 -43.380 -41.909 1.00 34.59 H +ATOM 4031 HD22 ASN A 274 -4.092 -42.508 -41.226 1.00 34.59 H +ATOM 4032 OD1 ASN A 274 -6.451 -41.444 -42.913 1.00 34.59 O +ATOM 4033 N PHE A 275 -5.113 -40.073 -38.589 1.00 39.75 N +ATOM 4034 H PHE A 275 -5.731 -39.276 -38.537 1.00 39.75 H +ATOM 4035 CA PHE A 275 -5.213 -41.078 -37.533 1.00 39.75 C +ATOM 4036 HA PHE A 275 -4.818 -42.021 -37.911 1.00 39.75 H +ATOM 4037 C PHE A 275 -6.674 -41.316 -37.158 1.00 39.75 C +ATOM 4038 CB PHE A 275 -4.370 -40.716 -36.302 1.00 39.75 C +ATOM 4039 HB2 PHE A 275 -4.608 -39.700 -35.986 1.00 39.75 H +ATOM 4040 HB3 PHE A 275 -4.641 -41.383 -35.483 1.00 39.75 H +ATOM 4041 O PHE A 275 -7.336 -40.463 -36.580 1.00 39.75 O +ATOM 4042 CG PHE A 275 -2.878 -40.847 -36.533 1.00 39.75 C +ATOM 4043 CD1 PHE A 275 -2.269 -42.118 -36.538 1.00 39.75 C +ATOM 4044 HD1 PHE A 275 -2.862 -43.003 -36.357 1.00 39.75 H +ATOM 4045 CD2 PHE A 275 -2.100 -39.700 -36.768 1.00 39.75 C +ATOM 4046 HD2 PHE A 275 -2.565 -38.725 -36.776 1.00 39.75 H +ATOM 4047 CE1 PHE A 275 -0.889 -42.239 -36.781 1.00 39.75 C +ATOM 4048 HE1 PHE A 275 -0.422 -43.213 -36.783 1.00 39.75 H +ATOM 4049 CE2 PHE A 275 -0.720 -39.820 -37.004 1.00 39.75 C +ATOM 4050 HE2 PHE A 275 -0.123 -38.936 -37.176 1.00 39.75 H +ATOM 4051 CZ PHE A 275 -0.115 -41.089 -37.012 1.00 39.75 C +ATOM 4052 HZ PHE A 275 0.947 -41.180 -37.190 1.00 39.75 H +ATOM 4053 N GLY A 276 -7.132 -42.534 -37.444 1.00 32.72 N +ATOM 4054 H GLY A 276 -6.542 -43.117 -38.022 1.00 32.72 H +ATOM 4055 CA GLY A 276 -8.015 -43.231 -36.518 1.00 32.72 C +ATOM 4056 HA2 GLY A 276 -7.806 -44.299 -36.576 1.00 32.72 H +ATOM 4057 HA3 GLY A 276 -7.788 -42.910 -35.502 1.00 32.72 H +ATOM 4058 C GLY A 276 -9.511 -43.052 -36.722 1.00 32.72 C +ATOM 4059 O GLY A 276 -10.223 -42.741 -35.777 1.00 32.72 O +ATOM 4060 N GLY A 277 -10.017 -43.379 -37.910 1.00 30.67 N +ATOM 4061 H GLY A 277 -9.373 -43.567 -38.665 1.00 30.67 H +ATOM 4062 CA GLY A 277 -11.318 -44.041 -37.955 1.00 30.67 C +ATOM 4063 HA2 GLY A 277 -11.640 -44.167 -38.989 1.00 30.67 H +ATOM 4064 HA3 GLY A 277 -12.059 -43.437 -37.431 1.00 30.67 H +ATOM 4065 C GLY A 277 -11.208 -45.419 -37.295 1.00 30.67 C +ATOM 4066 O GLY A 277 -10.258 -46.147 -37.593 1.00 30.67 O +ATOM 4067 N ARG A 278 -12.157 -45.754 -36.411 1.00 34.78 N +ATOM 4068 H ARG A 278 -12.690 -44.986 -36.028 1.00 34.78 H +ATOM 4069 CA ARG A 278 -12.708 -47.105 -36.167 1.00 34.78 C +ATOM 4070 HA ARG A 278 -13.159 -47.476 -37.087 1.00 34.78 H +ATOM 4071 C ARG A 278 -13.816 -47.045 -35.100 1.00 34.78 C +ATOM 4072 CB ARG A 278 -11.613 -48.101 -35.721 1.00 34.78 C +ATOM 4073 HB2 ARG A 278 -12.027 -48.811 -35.005 1.00 34.78 H +ATOM 4074 HB3 ARG A 278 -10.828 -47.547 -35.205 1.00 34.78 H +ATOM 4075 O ARG A 278 -13.535 -46.686 -33.967 1.00 34.78 O +ATOM 4076 CG ARG A 278 -11.028 -48.915 -36.895 1.00 34.78 C +ATOM 4077 HG2 ARG A 278 -11.048 -48.343 -37.823 1.00 34.78 H +ATOM 4078 HG3 ARG A 278 -11.654 -49.791 -37.064 1.00 34.78 H +ATOM 4079 CD ARG A 278 -9.595 -49.374 -36.598 1.00 34.78 C +ATOM 4080 HD2 ARG A 278 -9.640 -50.233 -35.928 1.00 34.78 H +ATOM 4081 HD3 ARG A 278 -9.072 -48.569 -36.082 1.00 34.78 H +ATOM 4082 NE ARG A 278 -8.837 -49.674 -37.832 1.00 34.78 N +ATOM 4083 HE ARG A 278 -8.939 -48.993 -38.571 1.00 34.78 H +ATOM 4084 NH1 ARG A 278 -7.766 -51.592 -37.144 1.00 34.78 N +ATOM 4085 HH11 ARG A 278 -7.100 -52.332 -37.315 1.00 34.78 H +ATOM 4086 HH12 ARG A 278 -8.304 -51.582 -36.290 1.00 34.78 H +ATOM 4087 NH2 ARG A 278 -7.261 -50.694 -39.119 1.00 34.78 N +ATOM 4088 HH21 ARG A 278 -6.600 -51.443 -39.267 1.00 34.78 H +ATOM 4089 HH22 ARG A 278 -7.391 -49.990 -39.832 1.00 34.78 H +ATOM 4090 CZ ARG A 278 -7.965 -50.649 -38.023 1.00 34.78 C +ATOM 4091 N SER A 279 -15.021 -47.454 -35.521 1.00 36.50 N +ATOM 4092 H SER A 279 -15.097 -47.604 -36.517 1.00 36.50 H +ATOM 4093 CA SER A 279 -16.117 -48.097 -34.763 1.00 36.50 C +ATOM 4094 HA SER A 279 -16.992 -48.102 -35.413 1.00 36.50 H +ATOM 4095 C SER A 279 -16.566 -47.445 -33.451 1.00 36.50 C +ATOM 4096 CB SER A 279 -15.731 -49.558 -34.506 1.00 36.50 C +ATOM 4097 HB2 SER A 279 -16.106 -49.882 -33.535 1.00 36.50 H +ATOM 4098 HB3 SER A 279 -14.647 -49.677 -34.510 1.00 36.50 H +ATOM 4099 O SER A 279 -15.842 -47.463 -32.471 1.00 36.50 O +ATOM 4100 OG SER A 279 -16.313 -50.371 -35.496 1.00 36.50 O +ATOM 4101 HG SER A 279 -17.254 -50.407 -35.311 1.00 36.50 H +ATOM 4102 N SER A 280 -17.774 -46.900 -33.285 1.00 33.66 N +ATOM 4103 H SER A 280 -17.767 -46.279 -32.488 1.00 33.66 H +ATOM 4104 CA SER A 280 -19.103 -47.468 -33.581 1.00 33.66 C +ATOM 4105 HA SER A 280 -19.725 -47.090 -32.769 1.00 33.66 H +ATOM 4106 C SER A 280 -19.200 -48.997 -33.452 1.00 33.66 C +ATOM 4107 CB SER A 280 -19.804 -46.895 -34.823 1.00 33.66 C +ATOM 4108 HB2 SER A 280 -20.851 -47.197 -34.791 1.00 33.66 H +ATOM 4109 HB3 SER A 280 -19.763 -45.806 -34.786 1.00 33.66 H +ATOM 4110 O SER A 280 -18.992 -49.756 -34.398 1.00 33.66 O +ATOM 4111 OG SER A 280 -19.256 -47.335 -36.041 1.00 33.66 O +ATOM 4112 HG SER A 280 -19.882 -47.164 -36.749 1.00 33.66 H +ATOM 4113 N GLY A 281 -19.567 -49.427 -32.243 1.00 28.25 N +ATOM 4114 H GLY A 281 -19.539 -48.762 -31.483 1.00 28.25 H +ATOM 4115 CA GLY A 281 -20.134 -50.741 -31.943 1.00 28.25 C +ATOM 4116 HA2 GLY A 281 -21.123 -50.558 -31.522 1.00 28.25 H +ATOM 4117 HA3 GLY A 281 -20.268 -51.312 -32.861 1.00 28.25 H +ATOM 4118 C GLY A 281 -19.297 -51.600 -30.980 1.00 28.25 C +ATOM 4119 O GLY A 281 -18.079 -51.446 -30.949 1.00 28.25 O +ATOM 4120 N PRO A 282 -19.903 -52.563 -30.258 1.00 34.59 N +ATOM 4121 CA PRO A 282 -21.330 -52.734 -29.999 1.00 34.59 C +ATOM 4122 HA PRO A 282 -21.923 -51.880 -30.325 1.00 34.59 H +ATOM 4123 C PRO A 282 -21.658 -52.979 -28.510 1.00 34.59 C +ATOM 4124 CB PRO A 282 -21.689 -53.943 -30.864 1.00 34.59 C +ATOM 4125 HB2 PRO A 282 -21.768 -53.632 -31.906 1.00 34.59 H +ATOM 4126 HB3 PRO A 282 -22.612 -54.433 -30.553 1.00 34.59 H +ATOM 4127 O PRO A 282 -20.849 -53.392 -27.686 1.00 34.59 O +ATOM 4128 CG PRO A 282 -20.461 -54.844 -30.692 1.00 34.59 C +ATOM 4129 HG2 PRO A 282 -20.219 -55.349 -31.628 1.00 34.59 H +ATOM 4130 HG3 PRO A 282 -20.643 -55.577 -29.906 1.00 34.59 H +ATOM 4131 CD PRO A 282 -19.327 -53.901 -30.259 1.00 34.59 C +ATOM 4132 HD2 PRO A 282 -18.499 -53.977 -30.965 1.00 34.59 H +ATOM 4133 HD3 PRO A 282 -18.975 -54.163 -29.261 1.00 34.59 H +ATOM 4134 N TYR A 283 -22.926 -52.749 -28.201 1.00 30.12 N +ATOM 4135 H TYR A 283 -23.479 -52.368 -28.955 1.00 30.12 H +ATOM 4136 CA TYR A 283 -23.705 -53.544 -27.263 1.00 30.12 C +ATOM 4137 HA TYR A 283 -23.520 -53.203 -26.244 1.00 30.12 H +ATOM 4138 C TYR A 283 -23.352 -55.042 -27.376 1.00 30.12 C +ATOM 4139 CB TYR A 283 -25.188 -53.305 -27.639 1.00 30.12 C +ATOM 4140 HB2 TYR A 283 -25.814 -54.028 -27.115 1.00 30.12 H +ATOM 4141 HB3 TYR A 283 -25.478 -52.314 -27.291 1.00 30.12 H +ATOM 4142 O TYR A 283 -23.400 -55.619 -28.458 1.00 30.12 O +ATOM 4143 CG TYR A 283 -25.463 -53.386 -29.143 1.00 30.12 C +ATOM 4144 CD1 TYR A 283 -25.266 -52.254 -29.966 1.00 30.12 C +ATOM 4145 HD1 TYR A 283 -25.050 -51.294 -29.520 1.00 30.12 H +ATOM 4146 CD2 TYR A 283 -25.799 -54.619 -29.735 1.00 30.12 C +ATOM 4147 HD2 TYR A 283 -25.936 -55.496 -29.120 1.00 30.12 H +ATOM 4148 CE1 TYR A 283 -25.328 -52.373 -31.368 1.00 30.12 C +ATOM 4149 HE1 TYR A 283 -25.164 -51.509 -31.995 1.00 30.12 H +ATOM 4150 CE2 TYR A 283 -25.875 -54.740 -31.135 1.00 30.12 C +ATOM 4151 HE2 TYR A 283 -26.097 -55.693 -31.593 1.00 30.12 H +ATOM 4152 OH TYR A 283 -25.673 -53.754 -33.305 1.00 30.12 O +ATOM 4153 HH TYR A 283 -25.512 -52.927 -33.765 1.00 30.12 H +ATOM 4154 CZ TYR A 283 -25.624 -53.623 -31.955 1.00 30.12 C +ATOM 4155 N GLY A 284 -23.059 -55.691 -26.249 1.00 30.23 N +ATOM 4156 H GLY A 284 -22.884 -55.151 -25.414 1.00 30.23 H +ATOM 4157 CA GLY A 284 -23.101 -57.150 -26.149 1.00 30.23 C +ATOM 4158 HA2 GLY A 284 -23.914 -57.424 -25.476 1.00 30.23 H +ATOM 4159 HA3 GLY A 284 -23.339 -57.589 -27.118 1.00 30.23 H +ATOM 4160 C GLY A 284 -21.814 -57.819 -25.678 1.00 30.23 C +ATOM 4161 O GLY A 284 -20.834 -57.899 -26.407 1.00 30.23 O +ATOM 4162 N GLY A 285 -21.910 -58.442 -24.501 1.00 28.97 N +ATOM 4163 H GLY A 285 -22.715 -58.223 -23.931 1.00 28.97 H +ATOM 4164 CA GLY A 285 -21.289 -59.746 -24.287 1.00 28.97 C +ATOM 4165 HA2 GLY A 285 -20.899 -60.118 -25.234 1.00 28.97 H +ATOM 4166 HA3 GLY A 285 -22.059 -60.450 -23.971 1.00 28.97 H +ATOM 4167 C GLY A 285 -20.135 -59.811 -23.291 1.00 28.97 C +ATOM 4168 O GLY A 285 -18.983 -59.670 -23.667 1.00 28.97 O +ATOM 4169 N GLY A 286 -20.470 -60.228 -22.065 1.00 28.75 N +ATOM 4170 H GLY A 286 -21.444 -60.130 -21.816 1.00 28.75 H +ATOM 4171 CA GLY A 286 -19.766 -61.340 -21.416 1.00 28.75 C +ATOM 4172 HA2 GLY A 286 -20.489 -61.900 -20.823 1.00 28.75 H +ATOM 4173 HA3 GLY A 286 -19.404 -62.016 -22.191 1.00 28.75 H +ATOM 4174 C GLY A 286 -18.557 -61.015 -20.533 1.00 28.75 C +ATOM 4175 O GLY A 286 -17.526 -60.564 -21.009 1.00 28.75 O +ATOM 4176 N GLY A 287 -18.654 -61.385 -19.250 1.00 34.19 N +ATOM 4177 H GLY A 287 -19.548 -61.715 -18.917 1.00 34.19 H +ATOM 4178 CA GLY A 287 -17.512 -61.469 -18.329 1.00 34.19 C +ATOM 4179 HA2 GLY A 287 -16.726 -60.790 -18.659 1.00 34.19 H +ATOM 4180 HA3 GLY A 287 -17.099 -62.478 -18.352 1.00 34.19 H +ATOM 4181 C GLY A 287 -17.883 -61.066 -16.896 1.00 34.19 C +ATOM 4182 O GLY A 287 -17.732 -59.911 -16.542 1.00 34.19 O +ATOM 4183 N GLN A 288 -18.594 -61.894 -16.124 1.00 31.67 N +ATOM 4184 H GLN A 288 -19.271 -61.339 -15.619 1.00 31.67 H +ATOM 4185 CA GLN A 288 -18.024 -62.912 -15.221 1.00 31.67 C +ATOM 4186 HA GLN A 288 -18.836 -63.606 -15.003 1.00 31.67 H +ATOM 4187 C GLN A 288 -17.570 -62.369 -13.838 1.00 31.67 C +ATOM 4188 CB GLN A 288 -16.940 -63.759 -15.920 1.00 31.67 C +ATOM 4189 HB2 GLN A 288 -16.337 -64.258 -15.161 1.00 31.67 H +ATOM 4190 HB3 GLN A 288 -16.238 -63.123 -16.460 1.00 31.67 H +ATOM 4191 O GLN A 288 -16.552 -61.701 -13.738 1.00 31.67 O +ATOM 4192 CG GLN A 288 -17.519 -64.836 -16.853 1.00 31.67 C +ATOM 4193 HG2 GLN A 288 -18.249 -65.431 -16.304 1.00 31.67 H +ATOM 4194 HG3 GLN A 288 -18.033 -64.364 -17.690 1.00 31.67 H +ATOM 4195 CD GLN A 288 -16.457 -65.795 -17.391 1.00 31.67 C +ATOM 4196 NE2 GLN A 288 -16.761 -66.562 -18.414 1.00 31.67 N +ATOM 4197 HE21 GLN A 288 -17.656 -66.501 -18.877 1.00 31.67 H +ATOM 4198 HE22 GLN A 288 -16.013 -67.154 -18.745 1.00 31.67 H +ATOM 4199 OE1 GLN A 288 -15.355 -65.912 -16.891 1.00 31.67 O +ATOM 4200 N TYR A 289 -18.323 -62.780 -12.796 1.00 30.75 N +ATOM 4201 H TYR A 289 -19.138 -63.316 -13.060 1.00 30.75 H +ATOM 4202 CA TYR A 289 -18.034 -62.812 -11.338 1.00 30.75 C +ATOM 4203 HA TYR A 289 -18.928 -63.229 -10.874 1.00 30.75 H +ATOM 4204 C TYR A 289 -17.822 -61.439 -10.652 1.00 30.75 C +ATOM 4205 CB TYR A 289 -16.910 -63.834 -11.075 1.00 30.75 C +ATOM 4206 HB2 TYR A 289 -16.863 -64.041 -10.006 1.00 30.75 H +ATOM 4207 HB3 TYR A 289 -15.959 -63.383 -11.359 1.00 30.75 H +ATOM 4208 O TYR A 289 -16.951 -60.676 -11.022 1.00 30.75 O +ATOM 4209 CG TYR A 289 -17.080 -65.151 -11.831 1.00 30.75 C +ATOM 4210 CD1 TYR A 289 -18.035 -66.103 -11.426 1.00 30.75 C +ATOM 4211 HD1 TYR A 289 -18.619 -65.936 -10.533 1.00 30.75 H +ATOM 4212 CD2 TYR A 289 -16.305 -65.404 -12.976 1.00 30.75 C +ATOM 4213 HD2 TYR A 289 -15.524 -64.709 -13.247 1.00 30.75 H +ATOM 4214 CE1 TYR A 289 -18.246 -67.269 -12.193 1.00 30.75 C +ATOM 4215 HE1 TYR A 289 -18.981 -68.002 -11.894 1.00 30.75 H +ATOM 4216 CE2 TYR A 289 -16.527 -66.553 -13.759 1.00 30.75 C +ATOM 4217 HE2 TYR A 289 -15.913 -66.737 -14.628 1.00 30.75 H +ATOM 4218 OH TYR A 289 -17.734 -68.595 -14.128 1.00 30.75 O +ATOM 4219 HH TYR A 289 -17.118 -68.658 -14.862 1.00 30.75 H +ATOM 4220 CZ TYR A 289 -17.509 -67.487 -13.375 1.00 30.75 C +ATOM 4221 N PHE A 290 -18.614 -61.010 -9.662 1.00 37.50 N +ATOM 4222 H PHE A 290 -18.601 -60.002 -9.597 1.00 37.50 H +ATOM 4223 CA PHE A 290 -18.834 -61.647 -8.361 1.00 37.50 C +ATOM 4224 HA PHE A 290 -18.570 -62.703 -8.413 1.00 37.50 H +ATOM 4225 C PHE A 290 -20.286 -61.511 -7.874 1.00 37.50 C +ATOM 4226 CB PHE A 290 -17.918 -60.961 -7.325 1.00 37.50 C +ATOM 4227 HB2 PHE A 290 -17.951 -59.881 -7.464 1.00 37.50 H +ATOM 4228 HB3 PHE A 290 -18.314 -61.159 -6.329 1.00 37.50 H +ATOM 4229 O PHE A 290 -20.822 -60.417 -7.725 1.00 37.50 O +ATOM 4230 CG PHE A 290 -16.476 -61.423 -7.343 1.00 37.50 C +ATOM 4231 CD1 PHE A 290 -16.059 -62.425 -6.447 1.00 37.50 C +ATOM 4232 HD1 PHE A 290 -16.760 -62.848 -5.743 1.00 37.50 H +ATOM 4233 CD2 PHE A 290 -15.548 -60.867 -8.243 1.00 37.50 C +ATOM 4234 HD2 PHE A 290 -15.843 -60.072 -8.912 1.00 37.50 H +ATOM 4235 CE1 PHE A 290 -14.731 -62.886 -6.470 1.00 37.50 C +ATOM 4236 HE1 PHE A 290 -14.409 -63.657 -5.786 1.00 37.50 H +ATOM 4237 CE2 PHE A 290 -14.228 -61.345 -8.284 1.00 37.50 C +ATOM 4238 HE2 PHE A 290 -13.528 -60.928 -8.993 1.00 37.50 H +ATOM 4239 CZ PHE A 290 -13.818 -62.354 -7.397 1.00 37.50 C +ATOM 4240 HZ PHE A 290 -12.800 -62.714 -7.427 1.00 37.50 H +ATOM 4241 N ALA A 291 -20.887 -62.648 -7.533 1.00 30.91 N +ATOM 4242 H ALA A 291 -20.380 -63.508 -7.680 1.00 30.91 H +ATOM 4243 CA ALA A 291 -22.019 -62.723 -6.621 1.00 30.91 C +ATOM 4244 HA ALA A 291 -22.686 -61.877 -6.786 1.00 30.91 H +ATOM 4245 C ALA A 291 -21.507 -62.699 -5.169 1.00 30.91 C +ATOM 4246 CB ALA A 291 -22.770 -64.028 -6.919 1.00 30.91 C +ATOM 4247 HB1 ALA A 291 -23.635 -64.112 -6.261 1.00 30.91 H +ATOM 4248 HB2 ALA A 291 -22.117 -64.886 -6.757 1.00 30.91 H +ATOM 4249 HB3 ALA A 291 -23.115 -64.027 -7.953 1.00 30.91 H +ATOM 4250 O ALA A 291 -20.561 -63.429 -4.870 1.00 30.91 O +ATOM 4251 N LYS A 292 -22.141 -61.906 -4.287 1.00 40.78 N +ATOM 4252 H LYS A 292 -22.706 -61.166 -4.680 1.00 40.78 H +ATOM 4253 CA LYS A 292 -22.324 -62.120 -2.826 1.00 40.78 C +ATOM 4254 HA LYS A 292 -22.946 -63.005 -2.694 1.00 40.78 H +ATOM 4255 C LYS A 292 -23.139 -60.954 -2.211 1.00 40.78 C +ATOM 4256 CB LYS A 292 -20.973 -62.360 -2.120 1.00 40.78 C +ATOM 4257 HB2 LYS A 292 -20.163 -61.957 -2.727 1.00 40.78 H +ATOM 4258 HB3 LYS A 292 -20.934 -61.842 -1.162 1.00 40.78 H +ATOM 4259 O LYS A 292 -23.250 -59.912 -2.847 1.00 40.78 O +ATOM 4260 CG LYS A 292 -20.771 -63.875 -1.889 1.00 40.78 C +ATOM 4261 HG2 LYS A 292 -21.439 -64.215 -1.098 1.00 40.78 H +ATOM 4262 HG3 LYS A 292 -21.032 -64.446 -2.779 1.00 40.78 H +ATOM 4263 CD LYS A 292 -19.335 -64.212 -1.486 1.00 40.78 C +ATOM 4264 HD2 LYS A 292 -18.646 -63.760 -2.199 1.00 40.78 H +ATOM 4265 HD3 LYS A 292 -19.141 -63.807 -0.493 1.00 40.78 H +ATOM 4266 CE LYS A 292 -19.143 -65.733 -1.494 1.00 40.78 C +ATOM 4267 HE2 LYS A 292 -19.265 -66.090 -2.517 1.00 40.78 H +ATOM 4268 HE3 LYS A 292 -19.925 -66.188 -0.886 1.00 40.78 H +ATOM 4269 NZ LYS A 292 -17.808 -66.117 -0.970 1.00 40.78 N +ATOM 4270 HZ1 LYS A 292 -17.076 -65.701 -1.529 1.00 40.78 H +ATOM 4271 HZ2 LYS A 292 -17.691 -67.120 -0.994 1.00 40.78 H +ATOM 4272 HZ3 LYS A 292 -17.695 -65.806 -0.016 1.00 40.78 H +ATOM 4273 N PRO A 293 -23.841 -61.157 -1.080 1.00 38.50 N +ATOM 4274 CA PRO A 293 -25.302 -61.139 -1.119 1.00 38.50 C +ATOM 4275 HA PRO A 293 -25.654 -61.059 -2.148 1.00 38.50 H +ATOM 4276 C PRO A 293 -25.953 -60.016 -0.297 1.00 38.50 C +ATOM 4277 CB PRO A 293 -25.684 -62.516 -0.558 1.00 38.50 C +ATOM 4278 HB2 PRO A 293 -26.709 -62.557 -0.190 1.00 38.50 H +ATOM 4279 HB3 PRO A 293 -25.525 -63.278 -1.321 1.00 38.50 H +ATOM 4280 O PRO A 293 -25.319 -59.360 0.522 1.00 38.50 O +ATOM 4281 CG PRO A 293 -24.673 -62.701 0.571 1.00 38.50 C +ATOM 4282 HG2 PRO A 293 -25.037 -62.213 1.475 1.00 38.50 H +ATOM 4283 HG3 PRO A 293 -24.473 -63.755 0.761 1.00 38.50 H +ATOM 4284 CD PRO A 293 -23.432 -61.973 0.061 1.00 38.50 C +ATOM 4285 HD2 PRO A 293 -23.024 -61.339 0.848 1.00 38.50 H +ATOM 4286 HD3 PRO A 293 -22.695 -62.725 -0.221 1.00 38.50 H +ATOM 4287 N ARG A 294 -27.275 -59.889 -0.499 1.00 29.11 N +ATOM 4288 H ARG A 294 -27.624 -60.380 -1.310 1.00 29.11 H +ATOM 4289 CA ARG A 294 -28.293 -59.520 0.502 1.00 29.11 C +ATOM 4290 HA ARG A 294 -28.700 -58.534 0.280 1.00 29.11 H +ATOM 4291 C ARG A 294 -27.748 -59.497 1.939 1.00 29.11 C +ATOM 4292 CB ARG A 294 -29.412 -60.594 0.456 1.00 29.11 C +ATOM 4293 HB2 ARG A 294 -28.991 -61.543 0.125 1.00 29.11 H +ATOM 4294 HB3 ARG A 294 -29.789 -60.758 1.465 1.00 29.11 H +ATOM 4295 O ARG A 294 -27.470 -60.557 2.492 1.00 29.11 O +ATOM 4296 CG ARG A 294 -30.637 -60.251 -0.398 1.00 29.11 C +ATOM 4297 HG2 ARG A 294 -30.332 -59.990 -1.412 1.00 29.11 H +ATOM 4298 HG3 ARG A 294 -31.153 -59.405 0.055 1.00 29.11 H +ATOM 4299 CD ARG A 294 -31.570 -61.475 -0.433 1.00 29.11 C +ATOM 4300 HD2 ARG A 294 -31.634 -61.898 0.570 1.00 29.11 H +ATOM 4301 HD3 ARG A 294 -31.132 -62.223 -1.094 1.00 29.11 H +ATOM 4302 NE ARG A 294 -32.936 -61.139 -0.881 1.00 29.11 N +ATOM 4303 HE ARG A 294 -33.168 -60.158 -0.947 1.00 29.11 H +ATOM 4304 NH1 ARG A 294 -33.708 -63.295 -1.115 1.00 29.11 N +ATOM 4305 HH11 ARG A 294 -32.802 -63.649 -0.845 1.00 29.11 H +ATOM 4306 HH12 ARG A 294 -34.461 -63.939 -1.311 1.00 29.11 H +ATOM 4307 NH2 ARG A 294 -35.100 -61.589 -1.448 1.00 29.11 N +ATOM 4308 HH21 ARG A 294 -35.830 -62.258 -1.648 1.00 29.11 H +ATOM 4309 HH22 ARG A 294 -35.305 -60.601 -1.500 1.00 29.11 H +ATOM 4310 CZ ARG A 294 -33.902 -62.005 -1.145 1.00 29.11 C +ATOM 4311 N ASN A 295 -27.755 -58.323 2.565 1.00 36.44 N +ATOM 4312 H ASN A 295 -27.892 -57.478 2.030 1.00 36.44 H +ATOM 4313 CA ASN A 295 -27.953 -58.236 4.006 1.00 36.44 C +ATOM 4314 HA ASN A 295 -28.068 -59.247 4.398 1.00 36.44 H +ATOM 4315 C ASN A 295 -29.273 -57.503 4.265 1.00 36.44 C +ATOM 4316 CB ASN A 295 -26.725 -57.642 4.716 1.00 36.44 C +ATOM 4317 HB2 ASN A 295 -26.701 -56.560 4.588 1.00 36.44 H +ATOM 4318 HB3 ASN A 295 -25.818 -58.072 4.290 1.00 36.44 H +ATOM 4319 O ASN A 295 -29.393 -56.292 4.090 1.00 36.44 O +ATOM 4320 CG ASN A 295 -26.744 -57.977 6.200 1.00 36.44 C +ATOM 4321 ND2 ASN A 295 -25.726 -57.611 6.941 1.00 36.44 N +ATOM 4322 HD21 ASN A 295 -24.963 -57.071 6.560 1.00 36.44 H +ATOM 4323 HD22 ASN A 295 -25.819 -57.821 7.925 1.00 36.44 H +ATOM 4324 OD1 ASN A 295 -27.654 -58.601 6.706 1.00 36.44 O +ATOM 4325 N GLN A 296 -30.292 -58.304 4.564 1.00 32.03 N +ATOM 4326 H GLN A 296 -30.047 -59.269 4.737 1.00 32.03 H +ATOM 4327 CA GLN A 296 -31.517 -57.875 5.213 1.00 32.03 C +ATOM 4328 HA GLN A 296 -31.896 -56.956 4.765 1.00 32.03 H +ATOM 4329 C GLN A 296 -31.217 -57.651 6.691 1.00 32.03 C +ATOM 4330 CB GLN A 296 -32.568 -58.999 5.136 1.00 32.03 C +ATOM 4331 HB2 GLN A 296 -33.287 -58.860 5.944 1.00 32.03 H +ATOM 4332 HB3 GLN A 296 -32.073 -59.955 5.303 1.00 32.03 H +ATOM 4333 O GLN A 296 -30.676 -58.536 7.339 1.00 32.03 O +ATOM 4334 CG GLN A 296 -33.368 -59.055 3.833 1.00 32.03 C +ATOM 4335 HG2 GLN A 296 -33.958 -58.143 3.738 1.00 32.03 H +ATOM 4336 HG3 GLN A 296 -32.681 -59.112 2.990 1.00 32.03 H +ATOM 4337 CD GLN A 296 -34.301 -60.266 3.777 1.00 32.03 C +ATOM 4338 NE2 GLN A 296 -35.254 -60.284 2.872 1.00 32.03 N +ATOM 4339 HE21 GLN A 296 -35.889 -61.062 2.974 1.00 32.03 H +ATOM 4340 HE22 GLN A 296 -35.491 -59.441 2.368 1.00 32.03 H +ATOM 4341 OE1 GLN A 296 -34.195 -61.233 4.505 1.00 32.03 O +ATOM 4342 N GLY A 297 -31.742 -56.554 7.228 1.00 28.50 N +ATOM 4343 H GLY A 297 -32.074 -55.828 6.609 1.00 28.50 H +ATOM 4344 CA GLY A 297 -32.147 -56.501 8.624 1.00 28.50 C +ATOM 4345 HA2 GLY A 297 -32.397 -57.506 8.964 1.00 28.50 H +ATOM 4346 HA3 GLY A 297 -33.054 -55.901 8.697 1.00 28.50 H +ATOM 4347 C GLY A 297 -31.103 -55.956 9.589 1.00 28.50 C +ATOM 4348 O GLY A 297 -29.986 -56.445 9.686 1.00 28.50 O +ATOM 4349 N GLY A 298 -31.556 -55.009 10.405 1.00 29.22 N +ATOM 4350 H GLY A 298 -32.404 -54.525 10.145 1.00 29.22 H +ATOM 4351 CA GLY A 298 -31.313 -55.171 11.827 1.00 29.22 C +ATOM 4352 HA2 GLY A 298 -32.180 -55.709 12.211 1.00 29.22 H +ATOM 4353 HA3 GLY A 298 -30.435 -55.793 12.002 1.00 29.22 H +ATOM 4354 C GLY A 298 -31.116 -53.894 12.630 1.00 29.22 C +ATOM 4355 O GLY A 298 -30.029 -53.342 12.643 1.00 29.22 O +ATOM 4356 N TYR A 299 -32.201 -53.466 13.282 1.00 31.66 N +ATOM 4357 H TYR A 299 -33.055 -53.898 12.962 1.00 31.66 H +ATOM 4358 CA TYR A 299 -32.300 -53.021 14.682 1.00 31.66 C +ATOM 4359 HA TYR A 299 -33.067 -52.246 14.692 1.00 31.66 H +ATOM 4360 C TYR A 299 -31.070 -52.406 15.399 1.00 31.66 C +ATOM 4361 CB TYR A 299 -32.869 -54.201 15.502 1.00 31.66 C +ATOM 4362 HB2 TYR A 299 -33.013 -53.877 16.533 1.00 31.66 H +ATOM 4363 HB3 TYR A 299 -33.854 -54.457 15.111 1.00 31.66 H +ATOM 4364 O TYR A 299 -30.008 -53.001 15.522 1.00 31.66 O +ATOM 4365 CG TYR A 299 -32.005 -55.457 15.501 1.00 31.66 C +ATOM 4366 CD1 TYR A 299 -32.212 -56.470 14.545 1.00 31.66 C +ATOM 4367 HD1 TYR A 299 -33.078 -56.432 13.900 1.00 31.66 H +ATOM 4368 CD2 TYR A 299 -30.962 -55.596 16.434 1.00 31.66 C +ATOM 4369 HD2 TYR A 299 -30.799 -54.835 17.182 1.00 31.66 H +ATOM 4370 CE1 TYR A 299 -31.296 -57.532 14.423 1.00 31.66 C +ATOM 4371 HE1 TYR A 299 -31.420 -58.295 13.669 1.00 31.66 H +ATOM 4372 CE2 TYR A 299 -30.069 -56.679 16.349 1.00 31.66 C +ATOM 4373 HE2 TYR A 299 -29.245 -56.751 17.044 1.00 31.66 H +ATOM 4374 OH TYR A 299 -29.335 -58.659 15.210 1.00 31.66 O +ATOM 4375 HH TYR A 299 -28.633 -58.598 15.863 1.00 31.66 H +ATOM 4376 CZ TYR A 299 -30.214 -57.631 15.320 1.00 31.66 C +ATOM 4377 N GLY A 300 -31.310 -51.262 16.048 1.00 34.19 N +ATOM 4378 H GLY A 300 -32.185 -50.795 15.858 1.00 34.19 H +ATOM 4379 CA GLY A 300 -30.470 -50.675 17.102 1.00 34.19 C +ATOM 4380 HA2 GLY A 300 -29.425 -50.933 16.931 1.00 34.19 H +ATOM 4381 HA3 GLY A 300 -30.765 -51.064 18.077 1.00 34.19 H +ATOM 4382 C GLY A 300 -30.593 -49.149 17.064 1.00 34.19 C +ATOM 4383 O GLY A 300 -30.014 -48.520 16.195 1.00 34.19 O +ATOM 4384 N GLY A 301 -31.409 -48.459 17.859 1.00 30.80 N +ATOM 4385 H GLY A 301 -31.437 -47.484 17.596 1.00 30.80 H +ATOM 4386 CA GLY A 301 -31.831 -48.743 19.225 1.00 30.80 C +ATOM 4387 HA2 GLY A 301 -31.702 -49.796 19.473 1.00 30.80 H +ATOM 4388 HA3 GLY A 301 -32.884 -48.486 19.345 1.00 30.80 H +ATOM 4389 C GLY A 301 -30.981 -47.918 20.195 1.00 30.80 C +ATOM 4390 O GLY A 301 -29.792 -48.186 20.313 1.00 30.80 O +ATOM 4391 N SER A 302 -31.636 -46.973 20.891 1.00 35.69 N +ATOM 4392 H SER A 302 -32.602 -46.838 20.629 1.00 35.69 H +ATOM 4393 CA SER A 302 -31.243 -46.306 22.157 1.00 35.69 C +ATOM 4394 HA SER A 302 -32.036 -45.588 22.365 1.00 35.69 H +ATOM 4395 C SER A 302 -29.933 -45.493 22.168 1.00 35.69 C +ATOM 4396 CB SER A 302 -31.283 -47.318 23.313 1.00 35.69 C +ATOM 4397 HB2 SER A 302 -30.804 -46.889 24.193 1.00 35.69 H +ATOM 4398 HB3 SER A 302 -32.322 -47.541 23.558 1.00 35.69 H +ATOM 4399 O SER A 302 -28.858 -46.030 21.963 1.00 35.69 O +ATOM 4400 OG SER A 302 -30.622 -48.524 23.003 1.00 35.69 O +ATOM 4401 HG SER A 302 -29.846 -48.311 22.479 1.00 35.69 H +ATOM 4402 N SER A 303 -29.956 -44.159 22.291 1.00 30.78 N +ATOM 4403 H SER A 303 -29.148 -43.804 21.801 1.00 30.78 H +ATOM 4404 CA SER A 303 -30.225 -43.335 23.495 1.00 30.78 C +ATOM 4405 HA SER A 303 -30.172 -42.308 23.133 1.00 30.78 H +ATOM 4406 C SER A 303 -29.164 -43.446 24.598 1.00 30.78 C +ATOM 4407 CB SER A 303 -31.635 -43.471 24.090 1.00 30.78 C +ATOM 4408 HB2 SER A 303 -31.779 -42.682 24.829 1.00 30.78 H +ATOM 4409 HB3 SER A 303 -32.377 -43.339 23.303 1.00 30.78 H +ATOM 4410 O SER A 303 -28.716 -44.545 24.892 1.00 30.78 O +ATOM 4411 OG SER A 303 -31.840 -44.713 24.724 1.00 30.78 O +ATOM 4412 HG SER A 303 -31.070 -44.940 25.251 1.00 30.78 H +ATOM 4413 N SER A 304 -28.916 -42.316 25.283 1.00 35.97 N +ATOM 4414 H SER A 304 -29.369 -41.484 24.933 1.00 35.97 H +ATOM 4415 CA SER A 304 -28.023 -42.100 26.448 1.00 35.97 C +ATOM 4416 HA SER A 304 -28.323 -41.141 26.873 1.00 35.97 H +ATOM 4417 C SER A 304 -26.531 -41.955 26.098 1.00 35.97 C +ATOM 4418 CB SER A 304 -28.278 -43.137 27.563 1.00 35.97 C +ATOM 4419 HB2 SER A 304 -29.350 -43.232 27.741 1.00 35.97 H +ATOM 4420 HB3 SER A 304 -27.817 -42.798 28.491 1.00 35.97 H +ATOM 4421 O SER A 304 -26.017 -42.691 25.274 1.00 35.97 O +ATOM 4422 OG SER A 304 -27.745 -44.410 27.285 1.00 35.97 O +ATOM 4423 HG SER A 304 -27.928 -44.631 26.368 1.00 35.97 H +ATOM 4424 N SER A 305 -25.741 -41.030 26.641 1.00 35.69 N +ATOM 4425 H SER A 305 -24.779 -41.150 26.359 1.00 35.69 H +ATOM 4426 CA SER A 305 -25.938 -39.992 27.655 1.00 35.69 C +ATOM 4427 HA SER A 305 -26.762 -39.334 27.378 1.00 35.69 H +ATOM 4428 C SER A 305 -24.634 -39.180 27.760 1.00 35.69 C +ATOM 4429 CB SER A 305 -26.213 -40.630 29.025 1.00 35.69 C +ATOM 4430 HB2 SER A 305 -26.125 -39.889 29.821 1.00 35.69 H +ATOM 4431 HB3 SER A 305 -27.249 -40.969 29.056 1.00 35.69 H +ATOM 4432 O SER A 305 -23.556 -39.734 27.582 1.00 35.69 O +ATOM 4433 OG SER A 305 -25.356 -41.729 29.266 1.00 35.69 O +ATOM 4434 HG SER A 305 -24.444 -41.467 29.118 1.00 35.69 H +ATOM 4435 N SER A 306 -24.759 -37.890 28.085 1.00 33.72 N +ATOM 4436 H SER A 306 -25.704 -37.538 28.037 1.00 33.72 H +ATOM 4437 CA SER A 306 -23.885 -37.113 28.986 1.00 33.72 C +ATOM 4438 HA SER A 306 -24.021 -36.063 28.726 1.00 33.72 H +ATOM 4439 C SER A 306 -22.367 -37.375 29.020 1.00 33.72 C +ATOM 4440 CB SER A 306 -24.413 -37.284 30.418 1.00 33.72 C +ATOM 4441 HB2 SER A 306 -25.439 -36.918 30.475 1.00 33.72 H +ATOM 4442 HB3 SER A 306 -23.799 -36.708 31.110 1.00 33.72 H +ATOM 4443 O SER A 306 -21.912 -38.393 29.533 1.00 33.72 O +ATOM 4444 OG SER A 306 -24.385 -38.645 30.787 1.00 33.72 O +ATOM 4445 HG SER A 306 -23.502 -38.975 30.608 1.00 33.72 H +ATOM 4446 N SER A 307 -21.583 -36.330 28.741 1.00 40.47 N +ATOM 4447 H SER A 307 -21.970 -35.549 28.230 1.00 40.47 H +ATOM 4448 CA SER A 307 -20.358 -36.081 29.510 1.00 40.47 C +ATOM 4449 HA SER A 307 -20.492 -36.485 30.514 1.00 40.47 H +ATOM 4450 C SER A 307 -20.102 -34.578 29.643 1.00 40.47 C +ATOM 4451 CB SER A 307 -19.151 -36.812 28.919 1.00 40.47 C +ATOM 4452 HB2 SER A 307 -18.888 -36.384 27.952 1.00 40.47 H +ATOM 4453 HB3 SER A 307 -19.388 -37.868 28.792 1.00 40.47 H +ATOM 4454 O SER A 307 -19.615 -33.923 28.725 1.00 40.47 O +ATOM 4455 OG SER A 307 -18.071 -36.688 29.824 1.00 40.47 O +ATOM 4456 HG SER A 307 -17.349 -36.237 29.381 1.00 40.47 H +ATOM 4457 N TYR A 308 -20.465 -34.033 30.806 1.00 34.91 N +ATOM 4458 H TYR A 308 -20.861 -34.655 31.496 1.00 34.91 H +ATOM 4459 CA TYR A 308 -19.906 -32.789 31.327 1.00 34.91 C +ATOM 4460 HA TYR A 308 -19.950 -32.007 30.569 1.00 34.91 H +ATOM 4461 C TYR A 308 -18.446 -33.047 31.714 1.00 34.91 C +ATOM 4462 CB TYR A 308 -20.695 -32.344 32.574 1.00 34.91 C +ATOM 4463 HB2 TYR A 308 -20.022 -31.783 33.223 1.00 34.91 H +ATOM 4464 HB3 TYR A 308 -21.008 -33.218 33.146 1.00 34.91 H +ATOM 4465 O TYR A 308 -18.179 -33.829 32.623 1.00 34.91 O +ATOM 4466 CG TYR A 308 -21.894 -31.457 32.307 1.00 34.91 C +ATOM 4467 CD1 TYR A 308 -21.731 -30.058 32.327 1.00 34.91 C +ATOM 4468 HD1 TYR A 308 -20.755 -29.629 32.502 1.00 34.91 H +ATOM 4469 CD2 TYR A 308 -23.169 -32.013 32.086 1.00 34.91 C +ATOM 4470 HD2 TYR A 308 -23.300 -33.085 32.085 1.00 34.91 H +ATOM 4471 CE1 TYR A 308 -22.837 -29.211 32.128 1.00 34.91 C +ATOM 4472 HE1 TYR A 308 -22.709 -28.139 32.147 1.00 34.91 H +ATOM 4473 CE2 TYR A 308 -24.278 -31.169 31.884 1.00 34.91 C +ATOM 4474 HE2 TYR A 308 -25.264 -31.579 31.721 1.00 34.91 H +ATOM 4475 OH TYR A 308 -25.189 -28.959 31.719 1.00 34.91 O +ATOM 4476 HH TYR A 308 -24.958 -28.028 31.766 1.00 34.91 H +ATOM 4477 CZ TYR A 308 -24.115 -29.768 31.907 1.00 34.91 C +ATOM 4478 N GLY A 309 -17.509 -32.368 31.055 1.00 43.72 N +ATOM 4479 H GLY A 309 -17.795 -31.805 30.266 1.00 43.72 H +ATOM 4480 CA GLY A 309 -16.095 -32.341 31.424 1.00 43.72 C +ATOM 4481 HA2 GLY A 309 -15.882 -33.058 32.217 1.00 43.72 H +ATOM 4482 HA3 GLY A 309 -15.491 -32.603 30.555 1.00 43.72 H +ATOM 4483 C GLY A 309 -15.690 -30.948 31.889 1.00 43.72 C +ATOM 4484 O GLY A 309 -15.141 -30.171 31.118 1.00 43.72 O +ATOM 4485 N SER A 310 -15.992 -30.628 33.146 1.00 36.56 N +ATOM 4486 H SER A 310 -16.442 -31.345 33.696 1.00 36.56 H +ATOM 4487 CA SER A 310 -15.352 -29.543 33.893 1.00 36.56 C +ATOM 4488 HA SER A 310 -15.005 -28.765 33.213 1.00 36.56 H +ATOM 4489 C SER A 310 -14.163 -30.135 34.648 1.00 36.56 C +ATOM 4490 CB SER A 310 -16.359 -28.931 34.876 1.00 36.56 C +ATOM 4491 HB2 SER A 310 -16.741 -29.709 35.538 1.00 36.56 H +ATOM 4492 HB3 SER A 310 -17.191 -28.509 34.313 1.00 36.56 H +ATOM 4493 O SER A 310 -14.343 -31.120 35.364 1.00 36.56 O +ATOM 4494 OG SER A 310 -15.760 -27.912 35.654 1.00 36.56 O +ATOM 4495 HG SER A 310 -16.446 -27.470 36.159 1.00 36.56 H +ATOM 4496 N GLY A 311 -12.970 -29.540 34.536 1.00 35.62 N +ATOM 4497 H GLY A 311 -12.863 -28.792 33.866 1.00 35.62 H +ATOM 4498 CA GLY A 311 -11.943 -29.737 35.560 1.00 35.62 C +ATOM 4499 HA2 GLY A 311 -12.102 -30.699 36.048 1.00 35.62 H +ATOM 4500 HA3 GLY A 311 -12.091 -28.973 36.324 1.00 35.62 H +ATOM 4501 C GLY A 311 -10.474 -29.735 35.132 1.00 35.62 C +ATOM 4502 O GLY A 311 -9.960 -30.755 34.694 1.00 35.62 O +ATOM 4503 N ARG A 312 -9.806 -28.648 35.549 1.00 31.00 N +ATOM 4504 H ARG A 312 -10.380 -27.824 35.654 1.00 31.00 H +ATOM 4505 CA ARG A 312 -8.499 -28.589 36.244 1.00 31.00 C +ATOM 4506 HA ARG A 312 -8.415 -27.567 36.612 1.00 31.00 H +ATOM 4507 C ARG A 312 -7.195 -28.832 35.465 1.00 31.00 C +ATOM 4508 CB ARG A 312 -8.502 -29.521 37.477 1.00 31.00 C +ATOM 4509 HB2 ARG A 312 -8.594 -30.553 37.141 1.00 31.00 H +ATOM 4510 HB3 ARG A 312 -7.542 -29.420 37.984 1.00 31.00 H +ATOM 4511 O ARG A 312 -7.120 -29.703 34.610 1.00 31.00 O +ATOM 4512 CG ARG A 312 -9.578 -29.234 38.527 1.00 31.00 C +ATOM 4513 HG2 ARG A 312 -9.507 -28.197 38.854 1.00 31.00 H +ATOM 4514 HG3 ARG A 312 -10.565 -29.412 38.100 1.00 31.00 H +ATOM 4515 CD ARG A 312 -9.377 -30.166 39.728 1.00 31.00 C +ATOM 4516 HD2 ARG A 312 -9.334 -31.195 39.371 1.00 31.00 H +ATOM 4517 HD3 ARG A 312 -8.433 -29.916 40.212 1.00 31.00 H +ATOM 4518 NE ARG A 312 -10.482 -30.039 40.694 1.00 31.00 N +ATOM 4519 HE ARG A 312 -11.252 -29.442 40.427 1.00 31.00 H +ATOM 4520 NH1 ARG A 312 -9.647 -31.433 42.321 1.00 31.00 N +ATOM 4521 HH11 ARG A 312 -9.745 -31.871 43.226 1.00 31.00 H +ATOM 4522 HH12 ARG A 312 -8.799 -31.545 41.783 1.00 31.00 H +ATOM 4523 NH2 ARG A 312 -11.642 -30.480 42.601 1.00 31.00 N +ATOM 4524 HH21 ARG A 312 -11.720 -30.939 43.497 1.00 31.00 H +ATOM 4525 HH22 ARG A 312 -12.395 -29.882 42.290 1.00 31.00 H +ATOM 4526 CZ ARG A 312 -10.583 -30.649 41.862 1.00 31.00 C +ATOM 4527 N ARG A 313 -6.155 -28.201 36.051 1.00 37.72 N +ATOM 4528 H ARG A 313 -6.417 -27.435 36.655 1.00 37.72 H +ATOM 4529 CA ARG A 313 -4.693 -28.455 36.008 1.00 37.72 C +ATOM 4530 HA ARG A 313 -4.268 -28.185 36.974 1.00 37.72 H +ATOM 4531 C ARG A 313 -3.964 -27.561 34.993 1.00 37.72 C +ATOM 4532 CB ARG A 313 -4.405 -29.956 35.792 1.00 37.72 C +ATOM 4533 HB2 ARG A 313 -4.823 -30.293 34.843 1.00 37.72 H +ATOM 4534 HB3 ARG A 313 -3.330 -30.100 35.685 1.00 37.72 H +ATOM 4535 O ARG A 313 -4.297 -27.627 33.823 1.00 37.72 O +ATOM 4536 CG ARG A 313 -4.910 -30.842 36.942 1.00 37.72 C +ATOM 4537 HG2 ARG A 313 -4.420 -30.535 37.865 1.00 37.72 H +ATOM 4538 HG3 ARG A 313 -5.989 -30.736 37.052 1.00 37.72 H +ATOM 4539 CD ARG A 313 -4.610 -32.315 36.668 1.00 37.72 C +ATOM 4540 HD2 ARG A 313 -3.540 -32.422 36.489 1.00 37.72 H +ATOM 4541 HD3 ARG A 313 -5.147 -32.619 35.770 1.00 37.72 H +ATOM 4542 NE ARG A 313 -5.013 -33.169 37.805 1.00 37.72 N +ATOM 4543 HE ARG A 313 -5.525 -32.717 38.549 1.00 37.72 H +ATOM 4544 NH1 ARG A 313 -4.046 -35.105 37.051 1.00 37.72 N +ATOM 4545 HH11 ARG A 313 -3.819 -36.082 37.167 1.00 37.72 H +ATOM 4546 HH12 ARG A 313 -3.764 -34.619 36.212 1.00 37.72 H +ATOM 4547 NH2 ARG A 313 -5.109 -35.105 39.010 1.00 37.72 N +ATOM 4548 HH21 ARG A 313 -4.869 -36.081 39.106 1.00 37.72 H +ATOM 4549 HH22 ARG A 313 -5.617 -34.638 39.748 1.00 37.72 H +ATOM 4550 CZ ARG A 313 -4.725 -34.450 37.950 1.00 37.72 C +ATOM 4551 N PHE A 314 -2.992 -26.717 35.339 1.00 46.34 N +ATOM 4552 H PHE A 314 -2.711 -26.105 34.586 1.00 46.34 H +ATOM 4553 CA PHE A 314 -2.264 -26.386 36.573 1.00 46.34 C +ATOM 4554 HA PHE A 314 -2.839 -26.603 37.473 1.00 46.34 H +ATOM 4555 C PHE A 314 -1.988 -24.881 36.581 1.00 46.34 C +ATOM 4556 CB PHE A 314 -0.912 -27.118 36.599 1.00 46.34 C +ATOM 4557 HB2 PHE A 314 -0.520 -27.211 35.586 1.00 46.34 H +ATOM 4558 HB3 PHE A 314 -0.197 -26.507 37.150 1.00 46.34 H +ATOM 4559 O PHE A 314 -1.887 -24.322 35.465 1.00 46.34 O +ATOM 4560 CG PHE A 314 -0.954 -28.465 37.271 1.00 46.34 C +ATOM 4561 CD1 PHE A 314 -0.862 -28.544 38.670 1.00 46.34 C +ATOM 4562 HD1 PHE A 314 -0.749 -27.638 39.247 1.00 46.34 H +ATOM 4563 CD2 PHE A 314 -1.066 -29.638 36.510 1.00 46.34 C +ATOM 4564 HD2 PHE A 314 -1.086 -29.570 35.432 1.00 46.34 H +ATOM 4565 CE1 PHE A 314 -0.912 -29.794 39.311 1.00 46.34 C +ATOM 4566 HE1 PHE A 314 -0.819 -29.848 40.385 1.00 46.34 H +ATOM 4567 CE2 PHE A 314 -1.145 -30.889 37.149 1.00 46.34 C +ATOM 4568 HE2 PHE A 314 -1.204 -31.789 36.556 1.00 46.34 H +ATOM 4569 CZ PHE A 314 -1.068 -30.966 38.550 1.00 46.34 C +ATOM 4570 HZ PHE A 314 -1.083 -31.927 39.043 1.00 46.34 H +ATOM 4571 OXT PHE A 314 -1.908 -24.365 37.715 1.00 46.34 O +TER 4572 PHE A 314 +END diff --git a/examples/custom_restraints/input/residues_CALVADOS3.csv b/examples/custom_restraints/input/residues_CALVADOS3.csv new file mode 100644 index 0000000..5444ee2 --- /dev/null +++ b/examples/custom_restraints/input/residues_CALVADOS3.csv @@ -0,0 +1,21 @@ +one,three,MW,lambdas,sigmas,q,bondlength +R,ARG,156.19,0.7407902764839954,0.656,1,0.38 +D,ASP,115.09,0.092587557536158,0.558,-1,0.38 +N,ASN,114.1,0.3706962163690402,0.568,0,0.38 +E,GLU,129.11,0.000249590539426,0.592,-1,0.38 +K,LYS,128.17,0.1380602542039267,0.636,1,0.38 +H,HIS,137.14,0.4087176216525476,0.608,0,0.38 +Q,GLN,128.13,0.3143449791669133,0.602,0,0.38 +S,SER,87.08,0.4473142572693176,0.518,0,0.38 +C,CYS,103.14,0.5922529084601322,0.548,0,0.38 +G,GLY,57.05,0.7538308115197386,0.45,0,0.38 +T,THR,101.11,0.2672387936544146,0.562,0,0.38 +A,ALA,71.07,0.3377244362031627,0.504,0,0.38 +M,MET,131.2,0.5170874160398543,0.618,0,0.38 +Y,TYR,163.18,0.950628687301107,0.646,0,0.38 +V,VAL,99.13,0.2936174211771383,0.586,0,0.38 +W,TRP,186.22,1.033450123574512,0.678,0,0.38 +L,LEU,113.16,0.5548615312993875,0.618,0,0.38 +I,ILE,113.16,0.5130398874425708,0.618,0,0.38 +P,PRO,97.12,0.3469777523519372,0.556,0,0.38 +F,PHE,147.18,0.8906449355499866,0.636,0,0.38 diff --git a/examples/custom_restraints/prepare.py b/examples/custom_restraints/prepare.py new file mode 100644 index 0000000..65e8d70 --- /dev/null +++ b/examples/custom_restraints/prepare.py @@ -0,0 +1,86 @@ +import os +import pandas as pd +from calvados.cfg import Config, Job, Components +import subprocess +import numpy as np +from argparse import ArgumentParser + +parser = ArgumentParser() +parser.add_argument('--name',nargs='?',required=True,type=str) +args = parser.parse_args() + +cwd = os.getcwd() +sysname = f'{args.name:s}' + +# set the side length of the cubic box +L = 40 + +# set the saving interval (number of integration steps) +N_save = 8000 + +# set final number of frames to save +N_frames = 4000 + +residues_file = f'{cwd}/input/residues_CALVADOS3.csv' + +config = Config( + # GENERAL + sysname = sysname, # name of simulation system + box = [L, L, L], # nm + temp = 293, # K + ionic = 0.19, # molar + pH = 7.0, + topol = 'center', + + # RUNTIME SETTINGS + wfreq = N_save, # dcd writing interval, 1 = 10 fs + steps = N_frames*N_save, # number of simulation steps + runtime = 0, # overwrites 'steps' keyword if > 0 + platform = 'CPU', # or CUDA + threads = 4, + restart = 'checkpoint', + frestart = 'restart.chk', + verbose = True, + + custom_restraints = True, + custom_restraint_type = 'harmonic', + fcustom_restraints = f'{cwd}/input/cres.txt', +) + +# PATH +path = f'{cwd}/{sysname:s}' +subprocess.run(f'mkdir -p {path}',shell=True) +subprocess.run(f'mkdir -p data',shell=True) + +analyses = f""" + +from calvados.analysis import save_conf_prop + +save_conf_prop(path="{path:s}",name="{sysname:s}",residues_file="{residues_file:s}",output_path=f"{cwd}/data",start=100,is_idr=False,select='all') +""" + +config.write(path,name='config.yaml',analyses=analyses) + +components = Components( + # Defaults + molecule_type = 'protein', + nmol = 1, # number of molecules + restraint = True, # apply restraints + charge_termini = 'both', # charge N or C or both + # INPUT + fresidues = residues_file, # residue definitions + fdomains = f'{cwd}/input/domains.yaml', # domain definitions (harmonic restraints) + pdb_folder = f'{cwd}/input', # directory for pdb and PAE files + # RESTRAINTS + restraint_type = 'harmonic', # harmonic or go + use_com = True, # apply on centers of mass instead of CA + colabfold = 1, # PAE format (EBI AF=0, Colabfold=1&2) + k_harmonic = 700., # Restraint force constant +) +components.add(name=args.name) + +components.write(path,name='components.yaml') + +# job = Job(envname='calvados-public') +# job.write(path,config,components) +# job.submit(path,njobs=1) diff --git a/examples/single_IDR/input/idr.fasta b/examples/single_IDR/input/idr.fasta index 9f5ec4f..2b046ff 100644 --- a/examples/single_IDR/input/idr.fasta +++ b/examples/single_IDR/input/idr.fasta @@ -1,2 +1,4 @@ +>A1SLCD +GSMASASSSQRGRSGSGNFGGGRGGGFGGNDNFGRGGNFSGRGGFGGSRGGGGYGGSGDGYNGFGNDGSNFGGGGNYNNQSSNFGPMKGGNFGGRSSGPYGGGGQYFAKPRNQGGYGGSSSSSSYGSGRRF >FUSRGG3 RRGGRGGYDRGGYRGRGGDRGGFRGGRGGGDRGC diff --git a/examples/single_IDR/prepare.py b/examples/single_IDR/prepare.py index 175a629..06d29b5 100644 --- a/examples/single_IDR/prepare.py +++ b/examples/single_IDR/prepare.py @@ -13,13 +13,13 @@ sysname = f'{args.name:s}' # set the side length of the cubic box -L = 20 +L = 50 # set the saving interval (number of integration steps) -N_save = 1000 +N_save = 7000 # set final number of frames to save -N_frames = 1000 +N_frames = 1010 residues_file = f'{cwd}/input/residues_CALVADOS2.csv' @@ -27,9 +27,9 @@ # GENERAL sysname = sysname, # name of simulation system box = [L, L, L], # nm - temp = 293, # K - ionic = 0.15, # molar - pH = 7.0, # 7.5 + temp = 293.15, # K + ionic = 0.19, # M + pH = 7.5, topol = 'center', # RUNTIME SETTINGS @@ -45,12 +45,13 @@ # PATH path = f'{cwd}/{sysname:s}' subprocess.run(f'mkdir -p {path}',shell=True) +subprocess.run(f'mkdir -p data',shell=True) analyses = f""" -from calvados.analysis import save_rg +from calvados.analysis import save_conf_prop -save_rg("{path:s}","{sysname:s}","{residues_file:s}",".",10) +save_conf_prop(path="{path:s}",name="{sysname:s}",residues_file="{residues_file:s}",output_path="data",start=10,is_idr=True,select='all') """ config.write(path,name='config.yaml',analyses=analyses) diff --git a/examples/single_MDP/prepare.py b/examples/single_MDP/prepare.py index e038ec2..e53ba69 100644 --- a/examples/single_MDP/prepare.py +++ b/examples/single_MDP/prepare.py @@ -13,13 +13,13 @@ sysname = f'{args.name:s}' # set the side length of the cubic box -L = 30 +L = 123 # set the saving interval (number of integration steps) -N_save = 1000 +N_save = 8000 # set final number of frames to save -N_frames = 1000 +N_frames = 4000 residues_file = f'{cwd}/input/residues_CALVADOS3.csv' @@ -28,7 +28,7 @@ sysname = sysname, # name of simulation system box = [L, L, L], # nm temp = 293, # K - ionic = 0.15, # molar + ionic = 0.19, # molar pH = 7.0, topol = 'center', @@ -37,6 +37,7 @@ steps = N_frames*N_save, # number of simulation steps runtime = 0, # overwrites 'steps' keyword if > 0 platform = 'CPU', # or CUDA + threads = 4, restart = 'checkpoint', frestart = 'restart.chk', verbose = True, @@ -49,12 +50,12 @@ analyses = f""" -from calvados.analysis import save_rg +from calvados.analysis import save_conf_prop -save_rg("{path:s}","{sysname:s}","{residues_file:s}","data",10) +save_conf_prop(path="{path:s}",name="{sysname:s}",residues_file="{residues_file:s}",output_path=f"{cwd}/data",start=100,is_idr=False,select='all') """ -config.write(path,name='config.yaml') +config.write(path,name='config.yaml',analyses=analyses) components = Components( # Defaults @@ -62,12 +63,10 @@ nmol = 1, # number of molecules restraint = True, # apply restraints charge_termini = 'both', # charge N or C or both - # INPUT fresidues = residues_file, # residue definitions fdomains = f'{cwd}/input/domains.yaml', # domain definitions (harmonic restraints) pdb_folder = f'{cwd}/input', # directory for pdb and PAE files - # RESTRAINTS restraint_type = 'harmonic', # harmonic or go use_com = True, # apply on centers of mass instead of CA diff --git a/examples/single_RNA/residues_C2RNA.csv b/examples/single_RNA/residues_C2RNA.csv index 13c0e2b..7667373 100644 --- a/examples/single_RNA/residues_C2RNA.csv +++ b/examples/single_RNA/residues_C2RNA.csv @@ -19,9 +19,4 @@ LEU,L,113.16,0.6440005007782226,0.618,0,0.38 ILE,I,113.16,0.5423623610671892,0.618,0,0.38 PRO,P,97.12,0.3593126576364644,0.5559999999999999,0,0.38 PHE,F,147.18,0.8672358982062975,0.636,0,0.38 -LPH,B,100.0,0.4625416811611541,0.855,0,0.38 -LPT,Z,200.0,0.9774611449343455,0.9,0,0.38 -ADE,a,134.1,1.18,0.6430,0,0.54 -URI,u,111.1,1.18,0.5958,0,0.54 -RBC,p,194.1,0.00,0.6954,-1,0.59 RNA,r,126.3,1.18,0.6238,0,0.54 diff --git a/examples/single_RNA/rna.fasta b/examples/single_RNA/rna.fasta index ee38d4e..2e1033d 100644 --- a/examples/single_RNA/rna.fasta +++ b/examples/single_RNA/rna.fasta @@ -1,4 +1,2 @@ ->polyU30 -uuuuuuuuuuuuuuuuuuuuuuuuuuuuuu >polyR30 rrrrrrrrrrrrrrrrrrrrrrrrrrrrrr diff --git a/examples/single_pIDR/README.md b/examples/single_pIDR/README.md new file mode 100644 index 0000000..5c47320 --- /dev/null +++ b/examples/single_pIDR/README.md @@ -0,0 +1,8 @@ +The lines below run simulations of a single IDR in phosphorylated state: + +```bash +python prepare.py --name --pH +python /run.py --path +``` + +where `` (10pAsh1 or Ash1) is a protein with sequence provided in the fasta file in the `input` folder. Phosphorylated Ser and Thr are represented as B and O in the fasta file. The charge of pSer and pThr is determined based on the input pH value as detailed in [DOI: 10.1101/2025.03.19.644261](https://doi.org/10.1101/2025.03.19.644261). diff --git a/examples/single_pIDR/input/idr.fasta b/examples/single_pIDR/input/idr.fasta new file mode 100644 index 0000000..1fe9ca6 --- /dev/null +++ b/examples/single_pIDR/input/idr.fasta @@ -0,0 +1,4 @@ +>Ash1 +SASSSPSPSTPTKSGKMRSRSSSPVRPKAYTPSPRSPNYHRFALDSPPQSPRRSSNSSITKKGSRRSSGSSPTRHTTRVCV +>10pAsh1 +SASSBPBPSOPTKSGKMRSRSSBPVRPKAYOPBPRBPNYHRFALDBPPQBPRRSSNSSITKKGSRRSSGSBPTRHTTRVCV diff --git a/examples/single_pIDR/input/residues_pCALVADOS2.csv b/examples/single_pIDR/input/residues_pCALVADOS2.csv new file mode 100644 index 0000000..dffe7ef --- /dev/null +++ b/examples/single_pIDR/input/residues_pCALVADOS2.csv @@ -0,0 +1,23 @@ +one,three,MW,lambdas,sigmas,q,bondlength +R,ARG,156.19,0.730762476752,0.656,1.0,0.38 +D,ASP,115.09,0.041604048061,0.558,-1.0,0.38 +N,ASN,114.1,0.425585900979,0.568,0.0,0.38 +E,GLU,129.11,0.000693546096,0.592,-1.0,0.38 +K,LYS,128.17,0.179021173899,0.636,1.0,0.38 +H,HIS,137.14,0.466366729056,0.608,0.0,0.38 +Q,GLN,128.13,0.393431855106,0.602,0.0,0.38 +S,SER,87.08,0.462541681161,0.518,0.0,0.38 +C,CYS,103.14,0.561543509914,0.548,0.0,0.38 +G,GLY,57.05,0.705884373367,0.45,0.0,0.38 +T,THR,101.11,0.371316297627,0.562,0.0,0.38 +A,ALA,71.07,0.274329796904,0.504,0.0,0.38 +M,MET,131.2,0.530848113434,0.618,0.0,0.38 +Y,TYR,163.18,0.977461144934,0.646,0.0,0.38 +V,VAL,99.13,0.208376960817,0.586,0.0,0.38 +W,TRP,186.22,0.989376474037,0.678,0.0,0.38 +L,LEU,113.16,0.644000500778,0.618,0.0,0.38 +I,ILE,113.16,0.542362361067,0.618,0.0,0.38 +P,PRO,97.12,0.359312657636,0.556,0.0,0.38 +F,PHE,147.18,0.867235898206,0.636,0.0,0.38 +B,SEP,165.04,0.0925,0.601,-1.968654940548496,0.38 +O,TPO,179.07,0.0013,0.635,-1.9406490568972323,0.38 diff --git a/examples/single_pIDR/prepare.py b/examples/single_pIDR/prepare.py new file mode 100644 index 0000000..236074d --- /dev/null +++ b/examples/single_pIDR/prepare.py @@ -0,0 +1,85 @@ +import os +import pandas as pd +from calvados.cfg import Config, Job, Components +import subprocess +import numpy as np +from argparse import ArgumentParser + +parser = ArgumentParser() +parser.add_argument('--name',nargs='?',required=True,type=str) +parser.add_argument('--pH',nargs='?',required=True,type=float) +args = parser.parse_args() + +cwd = os.getcwd() +sysname = f'{args.name:s}' + +# set the side length of the cubic box +L = 34.40 + +# set the saving interval (number of integration steps) +N_save = 7000 + +# set final number of frames to save +N_frames = 1010 + +# set solution pH +pH = args.pH + +residues_file = f'{cwd}/input/residues_pCALVADOS2.csv' + +# set charge on pSer and pThr based on input pH +pKa_dict = dict(SEP=6.01, TPO=6.3) +df_residues = pd.read_csv(residues_file,index_col='three') +for pres in pKa_dict.keys(): + df_residues.loc[pres,'q'] = - 1 - 1 / (1 + 10**(pKa_dict[pres]-pH)) +df_residues.reset_index().set_index('one').to_csv(residues_file) + +config = Config( + # GENERAL + sysname = sysname, # name of simulation system + box = [L, L, L], # nm + temp = 298, # K + ionic = 0.19, # M + pH = pH, + topol = 'center', + + # RUNTIME SETTINGS + wfreq = N_save, # dcd writing interval, 1 = 10 fs + steps = N_frames*N_save, # number of simulation steps + runtime = 0, # overwrites 'steps' keyword if > 0 + platform = 'CPU', # or CUDA + restart = 'checkpoint', + frestart = 'restart.chk', + verbose = True, +) + +# PATH +path = f'{cwd}/{sysname:s}' +subprocess.run(f'mkdir -p {path}',shell=True) +subprocess.run(f'mkdir -p {cwd}/data',shell=True) + +analyses = f""" + +from calvados.analysis import save_conf_prop + +save_conf_prop(path="{path:s}",name="{sysname:s}",residues_file="{residues_file:s}",output_path="{cwd}/data",start=10,is_idr=True,select='all') +""" + +config.write(path,name='config.yaml',analyses=analyses) + +components = Components( + # Defaults + molecule_type = 'protein', + nmol = 1, # number of molecules + restraint = False, # apply restraints + charge_termini = 'both', # charge N or C or both + + # INPUT + fresidues = residues_file, # residue definitions + ffasta = f'{cwd}/input/idr.fasta', # residue definitions +) + +components.add(name=args.name) + +components.write(path,name='components.yaml') + diff --git a/examples/slab_IDR/example_slab_analysis.ipynb b/examples/slab_IDR/example_slab_analysis.ipynb new file mode 100644 index 0000000..55ff37e --- /dev/null +++ b/examples/slab_IDR/example_slab_analysis.ipynb @@ -0,0 +1,131 @@ +{ + "cells": [ + { + "cell_type": "code", + "execution_count": null, + "id": "5e8512a4-c01d-4420-b0dd-56f9dbcf75be", + "metadata": {}, + "outputs": [], + "source": [ + "import calvados as cal\n", + "import numpy as np\n", + "import matplotlib.pyplot as plt\n", + "import pandas as pd\n", + "\n", + "import warnings\n", + "warnings.filterwarnings(\"ignore\", category=DeprecationWarning) " + ] + }, + { + "cell_type": "code", + "execution_count": null, + "id": "685745be-dcce-48a4-a257-09b4bb307cb0", + "metadata": {}, + "outputs": [], + "source": [ + "# client_chain_list = [(idx,idx) for idx in range(200,220)]\n", + "# client_names = [f'fragment_{idx}' for idx in range(20)]\n", + "\n", + "system = 'hnRNPA1LCD'\n", + "repl = 0\n", + "\n", + "name = f'{system}_{repl:d}'\n", + "print(name)\n", + "\n", + "slab = cal.analysis.SlabAnalysis(\n", + " name = name,\n", + " input_path = name,\n", + " output_path = 'slab_output',\n", + " ref_name = system, # ref_chains = (0,199),\n", + " # client_chain_list = client_chain_list, client_names = client_names,\n", + " verbose = True)" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "id": "d5fb9e70-e3b9-44f2-845d-6216e42a1660", + "metadata": {}, + "outputs": [], + "source": [ + "slab.center(start=600, step=10, center_target='all')" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "id": "b80b4df5-6936-4928-b222-fcfe07454148", + "metadata": {}, + "outputs": [], + "source": [ + "slab.calc_profiles()" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "id": "0763cce5-bc92-40c3-95a9-cb0a1489e66e", + "metadata": {}, + "outputs": [], + "source": [ + "slab.calc_concentrations()" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "id": "a7153594-a030-4d7a-98f6-50e70e6e1c22", + "metadata": {}, + "outputs": [], + "source": [ + "slab.df_results" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "id": "950f5808-8539-48a3-aaa6-e03f1a35bb79", + "metadata": {}, + "outputs": [], + "source": [ + "slab.plot_density_profiles()" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "id": "8c7b6fb2-3f2c-4480-80e3-9aaf56077420", + "metadata": {}, + "outputs": [], + "source": [ + "# Individual profile of ref\n", + "\n", + "test = np.load(f'output/{name}_{slab.ref_name}_profile.npy')\n", + "print(test.shape)\n", + "fig, ax = plt.subplots()\n", + "ax.imshow(test,cmap=plt.cm.Blues)" + ] + } + ], + "metadata": { + "kernelspec": { + "display_name": "Python 3 (ipykernel)", + "language": "python", + "name": "python3" + }, + "language_info": { + "codemirror_mode": { + "name": "ipython", + "version": 3 + }, + "file_extension": ".py", + "mimetype": "text/x-python", + "name": "python", + "nbconvert_exporter": "python", + "pygments_lexer": "ipython3", + "version": "3.10.15" + } + }, + "nbformat": 4, + "nbformat_minor": 5 +} diff --git a/examples/slab_IDR/prepare.py b/examples/slab_IDR/prepare.py index 38b30ca..ca1eddf 100644 --- a/examples/slab_IDR/prepare.py +++ b/examples/slab_IDR/prepare.py @@ -7,26 +7,36 @@ parser = ArgumentParser() parser.add_argument('--name',nargs='?',required=True,type=str) +parser.add_argument('--gpu_id',nargs='?',required=True,type=int) parser.add_argument('--replica',nargs='?',required=True,type=int) args = parser.parse_args() cwd = os.getcwd() N_save = int(5e4) +N_frames = 3000 sysname = f'{args.name:s}_{args.replica:d}' +residues_file = f'{cwd}/input/residues_CALVADOS2.csv' config = Config( # GENERAL sysname = sysname, # name of simulation system box = [15, 15, 150.], # nm temp = 293, - ionic = 0.1, # molar - pH = 7.5, + ionic = 0.15, # molar + pH = 7, topol = 'slab', + slab_width = 20, + friction = 0.01, + + # INPUT + ffasta = f'{cwd}/input/fastalib.fasta', # input fasta file + fresidues = f'{cwd}/input/residues.csv', # residue definitions # RUNTIME SETTINGS + gpu_id = args.gpu_id, wfreq = N_save, # dcd writing frequency, 1 = 10fs - steps = 12000*N_save, # number of simulation steps + steps = N_frames*N_save, # number of simulation steps runtime = 0, # overwrites 'steps' keyword if > 0 platform = 'CUDA', # 'CUDA' restart = 'checkpoint', @@ -38,14 +48,23 @@ # PATH path = f'{cwd}/{sysname}' +output_path = f'{path}/data' subprocess.run(f'mkdir -p {path}',shell=True) -subprocess.run(f'mkdir -p data',shell=True) +subprocess.run(f'mkdir -p {output_path}',shell=True) analyses = f""" +from calvados.analysis import SlabAnalysis, calc_com_traj, calc_contact_map -from calvados.analysis import calc_slab_profiles +slab = SlabAnalysis(name="{sysname:s}", input_path="{path:s}", + output_path="{output_path:s}", ref_name="{sysname:s}", verbose=True) -calc_slab_profiles(path="{path:s}",name="{sysname:s}",output_folder="data",ref_atoms="all",start=0) +slab.center(start=400, center_target='all') +slab.calc_profiles() +slab.calc_concentrations() +print(slab.df_results) +slab.plot_density_profiles() +calc_com_traj(path="{path:s}",sysname="{sysname:s}",output_path="{output_path:s}",residues_file="{residues_file:s}") +calc_contact_map(path="{path:s}",sysname="{sysname:s}",output_path="{output_path:s}",is_slab=True) """ config.write(path,name='config.yaml',analyses=analyses) @@ -55,11 +74,11 @@ molecule_type = 'protein', nmol = 1, # number of molecules restraint = False, # apply restraints - charge_termini = 'both', # charge N or C or both or none - + charge_termini = 'both', # charge N or C or both + # INPUT ffasta = f'{cwd}/input/fastalib.fasta', # input fasta file - fresidues = f'{cwd}/input/residues_CALVADOS2.csv', # residue definitions + fresidues = residues_file, # residue definitions ) components.add(name=args.name, nmol=100) diff --git a/examples/slab_IDR_MDP/README.md b/examples/slab_IDR_MDP/README.md new file mode 100644 index 0000000..2ab8cfa --- /dev/null +++ b/examples/slab_IDR_MDP/README.md @@ -0,0 +1,29 @@ +The lines below runs a slab simulation of an IDR (100 copies) in the presence of an MDP (100 copies): + +```bash +python prepare.py --name_1 --name_2 +python _/run.py --path _ +``` + +where `` (Tau35) is an IDR and `` (TIA1) is an MDP with sequence and structure provided in the `input` folder. + +After running the simulation, the script analyses the trajectory and saves the following files in the `data` folder: + +```bash +Tau35_TIA1_com_traj.dcd # trajectory of the centers of mass +Tau35_TIA1_com_top.pdb # pdb file of the centers of mass +Tau35_TIA1_Tau35_TIA1_cmap.npy # Tau35-TIA1 contact map +Tau35_TIA1_Tau35_rg.npy # per-frame Rg's of Tau35 +Tau35_TIA1_TIA1_rg.npy # per-frame Rg's of TIA1 +Tau35_TIA1_Tau35_rg_dilute.npy # Rg's of A1 LCD in the dilute phase +Tau35_TIA1_Tau35_rg_dense.npy # Rg's of A1 LCD in the dense phase +Tau35_TIA1_ps_results.csv # Average concentrations in the protein-rich and protein-dilute phases +Tau35_TIA1_Tau35_dilute_array.npy # time series of the protein concentration in the dilute phase +Tau35_TIA1_Tau35_dense_array.npy # time series of the protein concentration in the dense phase +Tau35_TIA1_TIA1_dilute_array.npy # time series of the protein concentration in the dilute phase +Tau35_TIA1_TIA1_dense_array.npy # time series of the protein concentration in the dense phase +Tau35_TIA1_profiles.npy # contains three columns: z-coordinate, average Tau35-concentration profile, average TIA1-concentration profile +Tau35_TIA1_Tau35_profile.npy # per-frame Tau35-concentration profiles +Tau35_TIA1_TIA1_profile.npy # per-frame TIA1-concentration profiles +Tau35_TIA1_Tau35_Tau35_homotypic_cmap.npy # Tau35-Tau35 contact map +``` diff --git a/examples/slab_IDR_MDP/input/TIA1.pdb b/examples/slab_IDR_MDP/input/TIA1.pdb new file mode 100644 index 0000000..ead00cb --- /dev/null +++ b/examples/slab_IDR_MDP/input/TIA1.pdb @@ -0,0 +1,4225 @@ +TITLE Guyana Rwanda Oman Macau Angola Cameroon Senegal +MODEL 1 +ATOM 1 N GLY 1 -13.276 -0.454 28.196 1.00 0.00 N +ATOM 2 H1 GLY 1 -12.853 -0.594 29.091 1.00 0.00 +ATOM 3 H2 GLY 1 -12.895 -1.107 27.541 1.00 0.00 +ATOM 4 H3 GLY 1 -13.093 0.478 27.882 1.00 0.00 +ATOM 5 CA GLY 1 -14.736 -0.660 28.304 1.00 0.00 C +ATOM 6 HA1 GLY 1 -14.914 -1.592 28.620 1.00 0.00 +ATOM 7 HA2 GLY 1 -15.112 -0.007 28.961 1.00 0.00 +ATOM 8 C GLY 1 -15.377 -0.454 26.974 1.00 0.00 C +ATOM 9 O GLY 1 -16.110 0.512 26.769 1.00 0.00 O +ATOM 10 N GLU 2 -15.103 -1.372 26.029 1.00 0.00 N +ATOM 11 HN GLU 2 -14.481 -2.124 26.245 1.00 0.00 +ATOM 12 CA GLU 2 -15.681 -1.297 24.721 1.00 0.00 C +ATOM 13 HA GLU 2 -15.613 -0.327 24.489 1.00 0.00 +ATOM 14 CB GLU 2 -14.951 -2.148 23.667 1.00 0.00 C +ATOM 15 HB1 GLU 2 -14.663 -3.004 24.096 1.00 0.00 +ATOM 16 HB2 GLU 2 -15.589 -2.346 22.923 1.00 0.00 +ATOM 17 CG GLU 2 -13.715 -1.475 23.069 1.00 0.00 C +ATOM 18 HG1 GLU 2 -13.185 -2.140 22.543 1.00 0.00 +ATOM 19 HG2 GLU 2 -13.991 -0.721 22.473 1.00 0.00 +ATOM 20 CD GLU 2 -12.873 -0.940 24.211 1.00 0.00 C +ATOM 21 OE1 GLU 2 -13.127 0.224 24.627 1.00 0.00 O +ATOM 22 OE2 GLU 2 -11.973 -1.681 24.684 1.00 0.00 O +ATOM 23 C GLU 2 -17.088 -1.785 24.805 1.00 0.00 C +ATOM 24 O GLU 2 -17.480 -2.449 25.762 1.00 0.00 O +ATOM 25 N ASP 3 -17.882 -1.438 23.777 1.00 0.00 N +ATOM 26 HN ASP 3 -17.476 -0.897 23.040 1.00 0.00 +ATOM 27 CA ASP 3 -19.269 -1.787 23.659 1.00 0.00 C +ATOM 28 HA ASP 3 -19.699 -1.421 24.484 1.00 0.00 +ATOM 29 CB ASP 3 -19.896 -1.192 22.382 1.00 0.00 C +ATOM 30 HB1 ASP 3 -20.837 -1.516 22.283 1.00 0.00 +ATOM 31 HB2 ASP 3 -19.891 -0.193 22.434 1.00 0.00 +ATOM 32 CG ASP 3 -19.073 -1.643 21.178 1.00 0.00 C +ATOM 33 OD1 ASP 3 -17.879 -1.246 21.102 1.00 0.00 O +ATOM 34 OD2 ASP 3 -19.627 -2.374 20.312 1.00 0.00 O +ATOM 35 C ASP 3 -19.390 -3.275 23.592 1.00 0.00 C +ATOM 36 O ASP 3 -20.355 -3.861 24.081 1.00 0.00 O +ATOM 37 N GLU 4 -18.375 -3.910 22.990 1.00 0.00 N +ATOM 38 HN GLU 4 -17.597 -3.349 22.708 1.00 0.00 +ATOM 39 CA GLU 4 -18.294 -5.311 22.710 1.00 0.00 C +ATOM 40 HA GLU 4 -19.127 -5.467 22.179 1.00 0.00 +ATOM 41 CB GLU 4 -16.996 -5.647 21.961 1.00 0.00 C +ATOM 42 HB1 GLU 4 -17.007 -5.176 21.079 1.00 0.00 +ATOM 43 HB2 GLU 4 -16.222 -5.321 22.504 1.00 0.00 +ATOM 44 CG GLU 4 -16.803 -7.138 21.703 1.00 0.00 C +ATOM 45 HG1 GLU 4 -15.888 -7.307 21.337 1.00 0.00 +ATOM 46 HG2 GLU 4 -16.922 -7.651 22.553 1.00 0.00 +ATOM 47 CD GLU 4 -17.849 -7.569 20.691 1.00 0.00 C +ATOM 48 OE1 GLU 4 -19.060 -7.382 20.979 1.00 0.00 O +ATOM 49 OE2 GLU 4 -17.450 -8.087 19.613 1.00 0.00 O +ATOM 50 C GLU 4 -18.310 -6.151 23.944 1.00 0.00 C +ATOM 51 O GLU 4 -18.817 -7.270 23.901 1.00 0.00 O +ATOM 52 N MET 5 -17.721 -5.677 25.058 1.00 0.00 N +ATOM 53 HN MET 5 -17.341 -4.752 25.079 1.00 0.00 +ATOM 54 CA MET 5 -17.648 -6.525 26.216 1.00 0.00 C +ATOM 55 HA MET 5 -17.885 -7.423 25.846 1.00 0.00 +ATOM 56 CB MET 5 -16.255 -6.502 26.861 1.00 0.00 C +ATOM 57 HB1 MET 5 -16.324 -6.871 27.788 1.00 0.00 +ATOM 58 HB2 MET 5 -15.640 -7.075 26.319 1.00 0.00 +ATOM 59 CG MET 5 -15.668 -5.090 26.938 1.00 0.00 C +ATOM 60 HG1 MET 5 -15.418 -4.882 25.993 1.00 0.00 +ATOM 61 HG2 MET 5 -16.444 -4.521 27.210 1.00 0.00 +ATOM 62 SD MET 5 -14.260 -4.891 28.066 1.00 0.00 S +ATOM 63 CE MET 5 -15.306 -4.153 29.352 1.00 0.00 C +ATOM 64 HE1 MET 5 -14.746 -3.929 30.149 1.00 0.00 +ATOM 65 HE2 MET 5 -15.731 -3.320 28.998 1.00 0.00 +ATOM 66 HE3 MET 5 -16.017 -4.804 29.617 1.00 0.00 +ATOM 67 C MET 5 -18.622 -6.086 27.269 1.00 0.00 C +ATOM 68 O MET 5 -18.390 -5.114 27.985 1.00 0.00 O +ATOM 69 N PRO 6 -19.711 -6.802 27.395 1.00 0.00 N +ATOM 70 CD PRO 6 -20.320 -7.483 26.270 1.00 0.00 C +ATOM 71 HD1 PRO 6 -19.749 -8.258 26.000 1.00 0.00 +ATOM 72 HD2 PRO 6 -20.406 -6.849 25.502 1.00 0.00 +ATOM 73 CA PRO 6 -20.685 -6.444 28.389 1.00 0.00 C +ATOM 74 HA PRO 6 -20.618 -5.455 28.520 1.00 0.00 +ATOM 75 CB PRO 6 -22.038 -6.890 27.845 1.00 0.00 C +ATOM 76 HB1 PRO 6 -22.596 -7.289 28.573 1.00 0.00 +ATOM 77 HB2 PRO 6 -22.525 -6.118 27.437 1.00 0.00 +ATOM 78 CG PRO 6 -21.693 -7.942 26.782 1.00 0.00 C +ATOM 79 HG1 PRO 6 -21.639 -8.855 27.185 1.00 0.00 +ATOM 80 HG2 PRO 6 -22.369 -7.943 26.045 1.00 0.00 +ATOM 81 C PRO 6 -20.398 -7.006 29.746 1.00 0.00 C +ATOM 82 O PRO 6 -19.923 -8.134 29.855 1.00 0.00 O +ATOM 83 N LYS 7 -20.663 -6.197 30.785 1.00 0.00 N +ATOM 84 HN LYS 7 -20.954 -5.267 30.559 1.00 0.00 +ATOM 85 CA LYS 7 -20.576 -6.514 32.183 1.00 0.00 C +ATOM 86 HA LYS 7 -19.744 -7.066 32.241 1.00 0.00 +ATOM 87 CB LYS 7 -20.531 -5.256 33.046 1.00 0.00 C +ATOM 88 HB1 LYS 7 -21.345 -4.712 32.843 1.00 0.00 +ATOM 89 HB2 LYS 7 -20.549 -5.538 34.005 1.00 0.00 +ATOM 90 CG LYS 7 -19.309 -4.368 32.839 1.00 0.00 C +ATOM 91 HG1 LYS 7 -18.526 -4.774 33.309 1.00 0.00 +ATOM 92 HG2 LYS 7 -19.113 -4.303 31.860 1.00 0.00 +ATOM 93 CD LYS 7 -19.559 -2.966 33.396 1.00 0.00 C +ATOM 94 HD1 LYS 7 -20.027 -2.429 32.694 1.00 0.00 +ATOM 95 HD2 LYS 7 -20.148 -3.049 34.200 1.00 0.00 +ATOM 96 CE LYS 7 -18.298 -2.213 33.808 1.00 0.00 C +ATOM 97 HE1 LYS 7 -17.887 -2.646 34.610 1.00 0.00 +ATOM 98 HE2 LYS 7 -17.639 -2.211 33.056 1.00 0.00 +ATOM 99 NZ LYS 7 -18.642 -0.813 34.145 1.00 0.00 N +ATOM 100 HZ1 LYS 7 -17.814 -0.322 34.415 1.00 0.00 +ATOM 101 HZ2 LYS 7 -19.048 -0.368 33.347 1.00 0.00 +ATOM 102 HZ3 LYS 7 -19.296 -0.803 34.901 1.00 0.00 +ATOM 103 C LYS 7 -21.803 -7.248 32.630 1.00 0.00 C +ATOM 104 O LYS 7 -21.798 -7.907 33.670 1.00 0.00 O +ATOM 105 N THR 8 -22.913 -7.067 31.886 1.00 0.00 N +ATOM 106 HN THR 8 -22.832 -6.598 31.006 1.00 0.00 +ATOM 107 CA THR 8 -24.206 -7.523 32.311 1.00 0.00 C +ATOM 108 HA THR 8 -24.168 -7.503 33.310 1.00 0.00 +ATOM 109 CB THR 8 -25.295 -6.634 31.776 1.00 0.00 C +ATOM 110 HB THR 8 -25.284 -6.633 30.776 1.00 0.00 +ATOM 111 OG1 THR 8 -25.046 -5.290 32.152 1.00 0.00 O +ATOM 112 HG1 THR 8 -25.773 -4.704 31.794 1.00 0.00 +ATOM 113 CG2 THR 8 -26.649 -7.090 32.345 1.00 0.00 C +ATOM 114 HG21 THR 8 -27.375 -6.500 31.991 1.00 0.00 +ATOM 115 HG22 THR 8 -26.824 -8.036 32.071 1.00 0.00 +ATOM 116 HG23 THR 8 -26.628 -7.030 33.343 1.00 0.00 +ATOM 117 C THR 8 -24.466 -8.897 31.787 1.00 0.00 C +ATOM 118 O THR 8 -24.287 -9.173 30.602 1.00 0.00 O +ATOM 119 N LEU 9 -24.903 -9.812 32.675 1.00 0.00 N +ATOM 120 HN LEU 9 -25.017 -9.569 33.638 1.00 0.00 +ATOM 121 CA LEU 9 -25.202 -11.136 32.222 1.00 0.00 C +ATOM 122 HA LEU 9 -24.848 -11.152 31.287 1.00 0.00 +ATOM 123 CB LEU 9 -24.497 -12.237 33.020 1.00 0.00 C +ATOM 124 HB1 LEU 9 -24.571 -12.029 33.995 1.00 0.00 +ATOM 125 HB2 LEU 9 -24.943 -13.112 32.831 1.00 0.00 +ATOM 126 CG LEU 9 -23.009 -12.333 32.634 1.00 0.00 C +ATOM 127 HG LEU 9 -22.965 -12.611 31.675 1.00 0.00 +ATOM 128 CD1 LEU 9 -22.300 -10.980 32.746 1.00 0.00 C +ATOM 129 HD11 LEU 9 -21.340 -11.085 32.488 1.00 0.00 +ATOM 130 HD12 LEU 9 -22.740 -10.322 32.135 1.00 0.00 +ATOM 131 HD13 LEU 9 -22.358 -10.650 33.688 1.00 0.00 +ATOM 132 CD2 LEU 9 -22.291 -13.397 33.463 1.00 0.00 C +ATOM 133 HD21 LEU 9 -21.329 -13.438 33.192 1.00 0.00 +ATOM 134 HD22 LEU 9 -22.355 -13.163 34.433 1.00 0.00 +ATOM 135 HD23 LEU 9 -22.719 -14.287 33.306 1.00 0.00 +ATOM 136 C LEU 9 -26.682 -11.338 32.229 1.00 0.00 C +ATOM 137 O LEU 9 -27.385 -10.975 33.172 1.00 0.00 O +ATOM 138 N TYR 10 -27.182 -11.935 31.133 1.00 0.00 N +ATOM 139 HN TYR 10 -26.555 -12.251 30.421 1.00 0.00 +ATOM 140 CA TYR 10 -28.585 -12.129 30.960 1.00 0.00 C +ATOM 141 HA TYR 10 -29.036 -11.511 31.604 1.00 0.00 +ATOM 142 CB TYR 10 -29.012 -11.837 29.509 1.00 0.00 C +ATOM 143 HB1 TYR 10 -28.844 -10.874 29.297 1.00 0.00 +ATOM 144 HB2 TYR 10 -28.488 -12.413 28.882 1.00 0.00 +ATOM 145 CG TYR 10 -30.462 -12.116 29.298 1.00 0.00 C +ATOM 146 CD1 TYR 10 -31.432 -11.238 29.727 1.00 0.00 C +ATOM 147 HD1 TYR 10 -31.165 -10.398 30.200 1.00 0.00 +ATOM 148 CE1 TYR 10 -32.764 -11.504 29.511 1.00 0.00 C +ATOM 149 HE1 TYR 10 -33.460 -10.860 29.830 1.00 0.00 +ATOM 150 CZ TYR 10 -33.141 -12.653 28.858 1.00 0.00 C +ATOM 151 OH TYR 10 -34.507 -12.932 28.634 1.00 0.00 O +ATOM 152 HH TYR 10 -34.594 -13.802 28.149 1.00 0.00 +ATOM 153 CD2 TYR 10 -30.849 -13.257 28.637 1.00 0.00 C +ATOM 154 HD2 TYR 10 -30.154 -13.898 28.310 1.00 0.00 +ATOM 155 CE2 TYR 10 -32.178 -13.529 28.419 1.00 0.00 C +ATOM 156 HE2 TYR 10 -32.445 -14.366 27.940 1.00 0.00 +ATOM 157 C TYR 10 -28.870 -13.562 31.252 1.00 0.00 C +ATOM 158 O TYR 10 -28.666 -14.434 30.410 1.00 0.00 O +ATOM 159 N VAL 11 -29.355 -13.839 32.476 1.00 0.00 N +ATOM 160 HN VAL 11 -29.493 -13.108 33.145 1.00 0.00 +ATOM 161 CA VAL 11 -29.670 -15.195 32.806 1.00 0.00 C +ATOM 162 HA VAL 11 -29.179 -15.726 32.116 1.00 0.00 +ATOM 163 CB VAL 11 -29.210 -15.621 34.164 1.00 0.00 C +ATOM 164 HB VAL 11 -29.592 -16.513 34.404 1.00 0.00 +ATOM 165 CG1 VAL 11 -27.685 -15.754 34.149 1.00 0.00 C +ATOM 166 HG11 VAL 11 -27.366 -16.039 35.053 1.00 0.00 +ATOM 167 HG12 VAL 11 -27.417 -16.438 33.470 1.00 0.00 +ATOM 168 HG13 VAL 11 -27.276 -14.872 33.914 1.00 0.00 +ATOM 169 CG2 VAL 11 -29.704 -14.580 35.178 1.00 0.00 C +ATOM 170 HG21 VAL 11 -29.408 -14.843 36.096 1.00 0.00 +ATOM 171 HG22 VAL 11 -29.323 -13.684 34.949 1.00 0.00 +ATOM 172 HG23 VAL 11 -30.703 -14.535 35.149 1.00 0.00 +ATOM 173 C VAL 11 -31.149 -15.364 32.767 1.00 0.00 C +ATOM 174 O VAL 11 -31.891 -14.703 33.494 1.00 0.00 O +ATOM 175 N GLY 12 -31.612 -16.261 31.877 1.00 0.00 N +ATOM 176 HN GLY 12 -30.971 -16.746 31.282 1.00 0.00 +ATOM 177 CA GLY 12 -33.013 -16.527 31.775 1.00 0.00 C +ATOM 178 HA1 GLY 12 -33.514 -15.803 32.249 1.00 0.00 +ATOM 179 HA2 GLY 12 -33.271 -16.533 30.809 1.00 0.00 +ATOM 180 C GLY 12 -33.289 -17.856 32.402 1.00 0.00 C +ATOM 181 O GLY 12 -32.429 -18.440 33.063 1.00 0.00 O +ATOM 182 N ASN 13 -34.506 -18.377 32.132 1.00 0.00 N +ATOM 183 HN ASN 13 -35.119 -17.839 31.553 1.00 0.00 +ATOM 184 CA ASN 13 -34.989 -19.643 32.611 1.00 0.00 C +ATOM 185 HA ASN 13 -35.906 -19.685 32.215 1.00 0.00 +ATOM 186 CB ASN 13 -34.136 -20.832 32.148 1.00 0.00 C +ATOM 187 HB1 ASN 13 -33.167 -20.650 32.315 1.00 0.00 +ATOM 188 HB2 ASN 13 -34.407 -21.663 32.633 1.00 0.00 +ATOM 189 CG ASN 13 -34.380 -21.001 30.659 1.00 0.00 C +ATOM 190 OD1 ASN 13 -34.617 -20.031 29.942 1.00 0.00 O +ATOM 191 ND2 ASN 13 -34.337 -22.274 30.183 1.00 0.00 N +ATOM 192 HD21 ASN 13 -34.152 -23.035 30.805 1.00 0.00 +ATOM 193 HD22 ASN 13 -34.490 -22.450 29.210 1.00 0.00 +ATOM 194 C ASN 13 -35.048 -19.661 34.105 1.00 0.00 C +ATOM 195 O ASN 13 -34.783 -20.689 34.727 1.00 0.00 O +ATOM 196 N LEU 14 -35.426 -18.527 34.724 1.00 0.00 N +ATOM 197 HN LEU 14 -35.658 -17.718 34.184 1.00 0.00 +ATOM 198 CA LEU 14 -35.497 -18.477 36.159 1.00 0.00 C +ATOM 199 HA LEU 14 -34.759 -19.099 36.420 1.00 0.00 +ATOM 200 CB LEU 14 -35.250 -17.083 36.769 1.00 0.00 C +ATOM 201 HB1 LEU 14 -35.953 -16.459 36.428 1.00 0.00 +ATOM 202 HB2 LEU 14 -35.322 -17.155 37.764 1.00 0.00 +ATOM 203 CG LEU 14 -33.868 -16.497 36.422 1.00 0.00 C +ATOM 204 HG LEU 14 -33.929 -16.073 35.518 1.00 0.00 +ATOM 205 CD1 LEU 14 -33.482 -15.377 37.398 1.00 0.00 C +ATOM 206 HD11 LEU 14 -32.583 -15.015 37.151 1.00 0.00 +ATOM 207 HD12 LEU 14 -34.161 -14.645 37.350 1.00 0.00 +ATOM 208 HD13 LEU 14 -33.450 -15.742 38.328 1.00 0.00 +ATOM 209 CD2 LEU 14 -32.792 -17.583 36.276 1.00 0.00 C +ATOM 210 HD21 LEU 14 -31.916 -17.156 36.052 1.00 0.00 +ATOM 211 HD22 LEU 14 -32.707 -18.086 37.136 1.00 0.00 +ATOM 212 HD23 LEU 14 -33.052 -18.214 35.545 1.00 0.00 +ATOM 213 C LEU 14 -36.835 -18.962 36.623 1.00 0.00 C +ATOM 214 O LEU 14 -37.738 -19.219 35.830 1.00 0.00 O +ATOM 215 N SER 15 -36.963 -19.152 37.953 1.00 0.00 N +ATOM 216 HN SER 15 -36.180 -18.970 38.548 1.00 0.00 +ATOM 217 CA SER 15 -38.192 -19.608 38.537 1.00 0.00 C +ATOM 218 HA SER 15 -38.873 -19.453 37.821 1.00 0.00 +ATOM 219 CB SER 15 -38.163 -21.092 38.942 1.00 0.00 C +ATOM 220 HB1 SER 15 -38.058 -21.680 38.140 1.00 0.00 +ATOM 221 HB2 SER 15 -37.421 -21.272 39.587 1.00 0.00 +ATOM 222 OG SER 15 -39.383 -21.444 39.578 1.00 0.00 O +ATOM 223 HG1 SER 15 -39.357 -22.409 39.838 1.00 0.00 +ATOM 224 C SER 15 -38.438 -18.810 39.781 1.00 0.00 C +ATOM 225 O SER 15 -37.515 -18.293 40.406 1.00 0.00 O +ATOM 226 N ARG 16 -39.719 -18.725 40.183 1.00 0.00 N +ATOM 227 HN ARG 16 -40.409 -19.215 39.650 1.00 0.00 +ATOM 228 CA ARG 16 -40.161 -17.978 41.326 1.00 0.00 C +ATOM 229 HA ARG 16 -39.907 -17.029 41.137 1.00 0.00 +ATOM 230 CB ARG 16 -41.666 -18.146 41.553 1.00 0.00 C +ATOM 231 HB1 ARG 16 -41.941 -17.604 42.347 1.00 0.00 +ATOM 232 HB2 ARG 16 -42.158 -17.825 40.744 1.00 0.00 +ATOM 233 CG ARG 16 -42.020 -19.610 41.803 1.00 0.00 C +ATOM 234 HG1 ARG 16 -41.533 -20.169 41.132 1.00 0.00 +ATOM 235 HG2 ARG 16 -41.716 -19.853 42.724 1.00 0.00 +ATOM 236 CD ARG 16 -43.507 -19.925 41.695 1.00 0.00 C +ATOM 237 HD1 ARG 16 -43.679 -20.886 41.909 1.00 0.00 +ATOM 238 HD2 ARG 16 -44.035 -19.345 42.315 1.00 0.00 +ATOM 239 NE ARG 16 -43.902 -19.645 40.286 1.00 0.00 N +ATOM 240 HE ARG 16 -44.453 -18.839 40.069 1.00 0.00 +ATOM 241 CZ ARG 16 -43.507 -20.495 39.293 1.00 0.00 C +ATOM 242 NH1 ARG 16 -42.693 -21.548 39.593 1.00 0.00 N +ATOM 243 HH11 ARG 16 -42.390 -21.693 40.535 1.00 0.00 +ATOM 244 HH12 ARG 16 -42.400 -22.175 38.871 1.00 0.00 +ATOM 245 NH2 ARG 16 -43.896 -20.277 38.002 1.00 0.00 N +ATOM 246 HH21 ARG 16 -44.473 -19.491 37.780 1.00 0.00 +ATOM 247 HH22 ARG 16 -43.603 -20.903 37.279 1.00 0.00 +ATOM 248 C ARG 16 -39.495 -18.547 42.537 1.00 0.00 C +ATOM 249 O ARG 16 -39.193 -17.830 43.488 1.00 0.00 O +ATOM 250 N ASP 17 -39.288 -19.873 42.534 1.00 0.00 N +ATOM 251 HN ASP 17 -39.559 -20.388 41.721 1.00 0.00 +ATOM 252 CA ASP 17 -38.702 -20.598 43.625 1.00 0.00 C +ATOM 253 HA ASP 17 -39.314 -20.378 44.385 1.00 0.00 +ATOM 254 CB ASP 17 -38.580 -22.102 43.351 1.00 0.00 C +ATOM 255 HB1 ASP 17 -37.991 -22.253 42.557 1.00 0.00 +ATOM 256 HB2 ASP 17 -38.187 -22.559 44.149 1.00 0.00 +ATOM 257 CG ASP 17 -39.948 -22.685 43.071 1.00 0.00 C +ATOM 258 OD1 ASP 17 -40.923 -21.896 42.966 1.00 0.00 O +ATOM 259 OD2 ASP 17 -40.024 -23.934 42.936 1.00 0.00 O +ATOM 260 C ASP 17 -37.282 -20.162 43.803 1.00 0.00 C +ATOM 261 O ASP 17 -36.761 -20.192 44.915 1.00 0.00 O +ATOM 262 N VAL 18 -36.598 -19.788 42.703 1.00 0.00 N +ATOM 263 HN VAL 18 -37.060 -19.725 41.818 1.00 0.00 +ATOM 264 CA VAL 18 -35.198 -19.481 42.814 1.00 0.00 C +ATOM 265 HA VAL 18 -34.826 -20.219 43.377 1.00 0.00 +ATOM 266 CB VAL 18 -34.487 -19.445 41.490 1.00 0.00 C +ATOM 267 HB VAL 18 -34.882 -18.745 40.895 1.00 0.00 +ATOM 268 CG1 VAL 18 -33.013 -19.065 41.723 1.00 0.00 C +ATOM 269 HG11 VAL 18 -32.533 -19.039 40.846 1.00 0.00 +ATOM 270 HG12 VAL 18 -32.965 -18.165 42.156 1.00 0.00 +ATOM 271 HG13 VAL 18 -32.584 -19.744 42.318 1.00 0.00 +ATOM 272 CG2 VAL 18 -34.679 -20.800 40.792 1.00 0.00 C +ATOM 273 HG21 VAL 18 -34.210 -20.789 39.909 1.00 0.00 +ATOM 274 HG22 VAL 18 -34.297 -21.526 41.363 1.00 0.00 +ATOM 275 HG23 VAL 18 -35.655 -20.966 40.650 1.00 0.00 +ATOM 276 C VAL 18 -35.057 -18.121 43.419 1.00 0.00 C +ATOM 277 O VAL 18 -35.330 -17.113 42.772 1.00 0.00 O +ATOM 278 N THR 19 -34.578 -18.064 44.681 1.00 0.00 N +ATOM 279 HN THR 19 -34.293 -18.906 45.139 1.00 0.00 +ATOM 280 CA THR 19 -34.473 -16.812 45.371 1.00 0.00 C +ATOM 281 HA THR 19 -35.329 -16.353 45.134 1.00 0.00 +ATOM 282 CB THR 19 -34.392 -16.933 46.872 1.00 0.00 C +ATOM 283 HB THR 19 -35.212 -17.383 47.226 1.00 0.00 +ATOM 284 OG1 THR 19 -34.409 -15.648 47.472 1.00 0.00 O +ATOM 285 HG1 THR 19 -34.355 -15.743 48.466 1.00 0.00 +ATOM 286 CG2 THR 19 -33.112 -17.690 47.263 1.00 0.00 C +ATOM 287 HG21 THR 19 -33.062 -17.768 48.259 1.00 0.00 +ATOM 288 HG22 THR 19 -33.128 -18.604 46.857 1.00 0.00 +ATOM 289 HG23 THR 19 -32.313 -17.190 46.927 1.00 0.00 +ATOM 290 C THR 19 -33.275 -16.068 44.885 1.00 0.00 C +ATOM 291 O THR 19 -32.273 -16.657 44.479 1.00 0.00 O +ATOM 292 N GLU 20 -33.378 -14.724 44.932 1.00 0.00 N +ATOM 293 HN GLU 20 -34.215 -14.331 45.313 1.00 0.00 +ATOM 294 CA GLU 20 -32.366 -13.825 44.471 1.00 0.00 C +ATOM 295 HA GLU 20 -32.229 -14.105 43.521 1.00 0.00 +ATOM 296 CB GLU 20 -32.775 -12.341 44.552 1.00 0.00 C +ATOM 297 HB1 GLU 20 -33.605 -12.205 44.011 1.00 0.00 +ATOM 298 HB2 GLU 20 -32.958 -12.109 45.507 1.00 0.00 +ATOM 299 CG GLU 20 -31.687 -11.401 44.021 1.00 0.00 C +ATOM 300 HG1 GLU 20 -30.898 -11.422 44.634 1.00 0.00 +ATOM 301 HG2 GLU 20 -31.407 -11.695 43.107 1.00 0.00 +ATOM 302 CD GLU 20 -32.233 -9.980 43.949 1.00 0.00 C +ATOM 303 OE1 GLU 20 -32.518 -9.391 45.025 1.00 0.00 O +ATOM 304 OE2 GLU 20 -32.367 -9.462 42.808 1.00 0.00 O +ATOM 305 C GLU 20 -31.145 -14.002 45.313 1.00 0.00 C +ATOM 306 O GLU 20 -30.030 -13.853 44.818 1.00 0.00 O +ATOM 307 N ALA 21 -31.323 -14.325 46.607 1.00 0.00 N +ATOM 308 HN ALA 21 -32.250 -14.481 46.949 1.00 0.00 +ATOM 309 CA ALA 21 -30.213 -14.450 47.508 1.00 0.00 C +ATOM 310 HA ALA 21 -29.792 -13.543 47.484 1.00 0.00 +ATOM 311 CB ALA 21 -30.649 -14.838 48.932 1.00 0.00 C +ATOM 312 HB1 ALA 21 -29.843 -14.912 49.519 1.00 0.00 +ATOM 313 HB2 ALA 21 -31.262 -14.137 49.295 1.00 0.00 +ATOM 314 HB3 ALA 21 -31.125 -15.717 48.907 1.00 0.00 +ATOM 315 C ALA 21 -29.288 -15.523 47.021 1.00 0.00 C +ATOM 316 O ALA 21 -28.068 -15.363 47.054 1.00 0.00 O +ATOM 317 N LEU 22 -29.857 -16.651 46.559 1.00 0.00 N +ATOM 318 HN LEU 22 -30.855 -16.703 46.527 1.00 0.00 +ATOM 319 CA LEU 22 -29.098 -17.785 46.110 1.00 0.00 C +ATOM 320 HA LEU 22 -28.499 -17.999 46.881 1.00 0.00 +ATOM 321 CB LEU 22 -30.026 -18.958 45.728 1.00 0.00 C +ATOM 322 HB1 LEU 22 -30.565 -19.207 46.533 1.00 0.00 +ATOM 323 HB2 LEU 22 -30.638 -18.650 44.999 1.00 0.00 +ATOM 324 CG LEU 22 -29.286 -20.216 45.236 1.00 0.00 C +ATOM 325 HG LEU 22 -28.683 -19.946 44.486 1.00 0.00 +ATOM 326 CD1 LEU 22 -28.399 -20.796 46.349 1.00 0.00 C +ATOM 327 HD11 LEU 22 -27.928 -21.610 46.010 1.00 0.00 +ATOM 328 HD12 LEU 22 -27.724 -20.113 46.627 1.00 0.00 +ATOM 329 HD13 LEU 22 -28.967 -21.042 47.134 1.00 0.00 +ATOM 330 CD2 LEU 22 -30.253 -21.261 44.651 1.00 0.00 C +ATOM 331 HD21 LEU 22 -29.735 -22.059 44.344 1.00 0.00 +ATOM 332 HD22 LEU 22 -30.908 -21.539 45.353 1.00 0.00 +ATOM 333 HD23 LEU 22 -30.744 -20.864 43.875 1.00 0.00 +ATOM 334 C LEU 22 -28.305 -17.427 44.892 1.00 0.00 C +ATOM 335 O LEU 22 -27.104 -17.686 44.818 1.00 0.00 O +ATOM 336 N ILE 23 -28.962 -16.792 43.904 1.00 0.00 N +ATOM 337 HN ILE 23 -29.920 -16.536 44.037 1.00 0.00 +ATOM 338 CA ILE 23 -28.316 -16.476 42.668 1.00 0.00 C +ATOM 339 HA ILE 23 -27.945 -17.354 42.366 1.00 0.00 +ATOM 340 CB ILE 23 -29.261 -15.980 41.618 1.00 0.00 C +ATOM 341 HB ILE 23 -29.825 -15.235 41.974 1.00 0.00 +ATOM 342 CG2 ILE 23 -28.441 -15.417 40.446 1.00 0.00 C +ATOM 343 HG21 ILE 23 -29.061 -15.082 39.736 1.00 0.00 +ATOM 344 HG22 ILE 23 -27.868 -14.665 40.771 1.00 0.00 +ATOM 345 HG23 ILE 23 -27.861 -16.139 40.068 1.00 0.00 +ATOM 346 CG1 ILE 23 -30.206 -17.131 41.222 1.00 0.00 C +ATOM 347 HG11 ILE 23 -29.662 -17.860 40.807 1.00 0.00 +ATOM 348 HG12 ILE 23 -30.650 -17.476 42.049 1.00 0.00 +ATOM 349 CD ILE 23 -31.295 -16.735 40.233 1.00 0.00 C +ATOM 350 HD1 ILE 23 -31.864 -17.531 40.027 1.00 0.00 +ATOM 351 HD2 ILE 23 -31.862 -16.015 40.632 1.00 0.00 +ATOM 352 HD3 ILE 23 -30.874 -16.399 39.391 1.00 0.00 +ATOM 353 C ILE 23 -27.222 -15.479 42.887 1.00 0.00 C +ATOM 354 O ILE 23 -26.146 -15.585 42.302 1.00 0.00 O +ATOM 355 N LEU 24 -27.470 -14.487 43.754 1.00 0.00 N +ATOM 356 HN LEU 24 -28.336 -14.493 44.254 1.00 0.00 +ATOM 357 CA LEU 24 -26.548 -13.420 43.993 1.00 0.00 C +ATOM 358 HA LEU 24 -26.379 -12.987 43.108 1.00 0.00 +ATOM 359 CB LEU 24 -27.141 -12.419 45.001 1.00 0.00 C +ATOM 360 HB1 LEU 24 -28.112 -12.301 44.794 1.00 0.00 +ATOM 361 HB2 LEU 24 -27.040 -12.800 45.920 1.00 0.00 +ATOM 362 CG LEU 24 -26.475 -11.037 44.978 1.00 0.00 C +ATOM 363 HG LEU 24 -26.866 -10.481 45.712 1.00 0.00 +ATOM 364 CD1 LEU 24 -24.977 -11.108 45.295 1.00 0.00 C +ATOM 365 HD11 LEU 24 -24.587 -10.188 45.269 1.00 0.00 +ATOM 366 HD12 LEU 24 -24.847 -11.499 46.206 1.00 0.00 +ATOM 367 HD13 LEU 24 -24.520 -11.683 44.617 1.00 0.00 +ATOM 368 CD2 LEU 24 -26.779 -10.335 43.647 1.00 0.00 C +ATOM 369 HD21 LEU 24 -26.343 -9.435 43.637 1.00 0.00 +ATOM 370 HD22 LEU 24 -26.424 -10.885 42.891 1.00 0.00 +ATOM 371 HD23 LEU 24 -27.768 -10.227 43.545 1.00 0.00 +ATOM 372 C LEU 24 -25.289 -14.011 44.566 1.00 0.00 C +ATOM 373 O LEU 24 -24.180 -13.635 44.187 1.00 0.00 O +ATOM 374 N GLN 25 -25.431 -14.984 45.486 1.00 0.00 N +ATOM 375 HN GLN 25 -26.349 -15.298 45.726 1.00 0.00 +ATOM 376 CA GLN 25 -24.295 -15.581 46.130 1.00 0.00 C +ATOM 377 HA GLN 25 -23.835 -14.779 46.512 1.00 0.00 +ATOM 378 CB GLN 25 -24.656 -16.591 47.228 1.00 0.00 C +ATOM 379 HB1 GLN 25 -25.142 -16.117 47.963 1.00 0.00 +ATOM 380 HB2 GLN 25 -25.246 -17.299 46.841 1.00 0.00 +ATOM 381 CG GLN 25 -23.403 -17.249 47.805 1.00 0.00 C +ATOM 382 HG1 GLN 25 -22.974 -17.824 47.109 1.00 0.00 +ATOM 383 HG2 GLN 25 -22.758 -16.544 48.099 1.00 0.00 +ATOM 384 CD GLN 25 -23.789 -18.105 48.996 1.00 0.00 C +ATOM 385 OE1 GLN 25 -24.740 -18.885 48.948 1.00 0.00 O +ATOM 386 NE2 GLN 25 -23.021 -17.950 50.107 1.00 0.00 N +ATOM 387 HE21 GLN 25 -22.258 -17.303 50.101 1.00 0.00 +ATOM 388 HE22 GLN 25 -23.219 -18.483 50.930 1.00 0.00 +ATOM 389 C GLN 25 -23.451 -16.306 45.134 1.00 0.00 C +ATOM 390 O GLN 25 -22.224 -16.288 45.223 1.00 0.00 O +ATOM 391 N LEU 26 -24.085 -16.967 44.150 1.00 0.00 N +ATOM 392 HN LEU 26 -25.082 -16.916 44.086 1.00 0.00 +ATOM 393 CA LEU 26 -23.358 -17.742 43.193 1.00 0.00 C +ATOM 394 HA LEU 26 -22.902 -18.432 43.755 1.00 0.00 +ATOM 395 CB LEU 26 -24.260 -18.365 42.117 1.00 0.00 C +ATOM 396 HB1 LEU 26 -24.816 -17.636 41.716 1.00 0.00 +ATOM 397 HB2 LEU 26 -23.674 -18.764 41.412 1.00 0.00 +ATOM 398 CG LEU 26 -25.206 -19.461 42.627 1.00 0.00 C +ATOM 399 HG LEU 26 -25.843 -19.057 43.283 1.00 0.00 +ATOM 400 CD1 LEU 26 -26.047 -20.025 41.470 1.00 0.00 C +ATOM 401 HD11 LEU 26 -26.657 -20.737 41.818 1.00 0.00 +ATOM 402 HD12 LEU 26 -26.590 -19.290 41.063 1.00 0.00 +ATOM 403 HD13 LEU 26 -25.441 -20.415 40.777 1.00 0.00 +ATOM 404 CD2 LEU 26 -24.434 -20.549 43.391 1.00 0.00 C +ATOM 405 HD21 LEU 26 -25.073 -21.248 43.711 1.00 0.00 +ATOM 406 HD22 LEU 26 -23.759 -20.967 42.784 1.00 0.00 +ATOM 407 HD23 LEU 26 -23.968 -20.139 44.175 1.00 0.00 +ATOM 408 C LEU 26 -22.426 -16.839 42.452 1.00 0.00 C +ATOM 409 O LEU 26 -21.268 -17.180 42.218 1.00 0.00 O +ATOM 410 N PHE 27 -22.922 -15.660 42.039 1.00 0.00 N +ATOM 411 HN PHE 27 -23.865 -15.419 42.270 1.00 0.00 +ATOM 412 CA PHE 27 -22.132 -14.742 41.276 1.00 0.00 C +ATOM 413 HA PHE 27 -21.764 -15.337 40.561 1.00 0.00 +ATOM 414 CB PHE 27 -22.934 -13.580 40.673 1.00 0.00 C +ATOM 415 HB1 PHE 27 -23.522 -13.162 41.365 1.00 0.00 +ATOM 416 HB2 PHE 27 -22.320 -12.887 40.295 1.00 0.00 +ATOM 417 CG PHE 27 -23.776 -14.142 39.582 1.00 0.00 C +ATOM 418 CD1 PHE 27 -23.195 -14.556 38.406 1.00 0.00 C +ATOM 419 HD1 PHE 27 -22.204 -14.482 38.291 1.00 0.00 +ATOM 420 CE1 PHE 27 -23.961 -15.071 37.386 1.00 0.00 C +ATOM 421 HE1 PHE 27 -23.526 -15.377 36.539 1.00 0.00 +ATOM 422 CZ PHE 27 -25.323 -15.165 37.531 1.00 0.00 C +ATOM 423 HZ PHE 27 -25.883 -15.537 36.791 1.00 0.00 +ATOM 424 CD2 PHE 27 -25.140 -14.232 39.717 1.00 0.00 C +ATOM 425 HD2 PHE 27 -25.576 -13.922 40.562 1.00 0.00 +ATOM 426 CE2 PHE 27 -25.911 -14.745 38.699 1.00 0.00 C +ATOM 427 HE2 PHE 27 -26.903 -14.812 38.810 1.00 0.00 +ATOM 428 C PHE 27 -21.057 -14.150 42.120 1.00 0.00 C +ATOM 429 O PHE 27 -19.942 -13.928 41.652 1.00 0.00 O +ATOM 430 N SER 28 -21.378 -13.863 43.392 1.00 0.00 N +ATOM 431 HN SER 28 -22.290 -14.100 43.726 1.00 0.00 +ATOM 432 CA SER 28 -20.457 -13.229 44.285 1.00 0.00 C +ATOM 433 HA SER 28 -20.213 -12.377 43.822 1.00 0.00 +ATOM 434 CB SER 28 -21.067 -12.955 45.668 1.00 0.00 C +ATOM 435 HB1 SER 28 -21.408 -13.800 46.081 1.00 0.00 +ATOM 436 HB2 SER 28 -20.395 -12.534 46.277 1.00 0.00 +ATOM 437 OG SER 28 -22.163 -12.059 45.552 1.00 0.00 O +ATOM 438 HG1 SER 28 -22.551 -11.888 46.458 1.00 0.00 +ATOM 439 C SER 28 -19.287 -14.130 44.481 1.00 0.00 C +ATOM 440 O SER 28 -18.201 -13.675 44.834 1.00 0.00 O +ATOM 441 N GLN 29 -19.468 -15.447 44.300 1.00 0.00 N +ATOM 442 HN GLN 29 -20.356 -15.839 44.059 1.00 0.00 +ATOM 443 CA GLN 29 -18.301 -16.245 44.477 1.00 0.00 C +ATOM 444 HA GLN 29 -17.978 -15.961 45.380 1.00 0.00 +ATOM 445 CB GLN 29 -18.544 -17.766 44.496 1.00 0.00 C +ATOM 446 HB1 GLN 29 -17.693 -18.213 44.771 1.00 0.00 +ATOM 447 HB2 GLN 29 -19.255 -17.958 45.172 1.00 0.00 +ATOM 448 CG GLN 29 -18.985 -18.385 43.172 1.00 0.00 C +ATOM 449 HG1 GLN 29 -19.877 -18.021 42.903 1.00 0.00 +ATOM 450 HG2 GLN 29 -18.314 -18.184 42.458 1.00 0.00 +ATOM 451 CD GLN 29 -19.079 -19.891 43.392 1.00 0.00 C +ATOM 452 OE1 GLN 29 -18.782 -20.402 44.471 1.00 0.00 O +ATOM 453 NE2 GLN 29 -19.506 -20.633 42.335 1.00 0.00 N +ATOM 454 HE21 GLN 29 -19.739 -20.186 41.472 1.00 0.00 +ATOM 455 HE22 GLN 29 -19.587 -21.626 42.421 1.00 0.00 +ATOM 456 C GLN 29 -17.344 -15.921 43.367 1.00 0.00 C +ATOM 457 O GLN 29 -16.137 -15.872 43.586 1.00 0.00 O +ATOM 458 N ILE 30 -17.858 -15.736 42.133 1.00 0.00 N +ATOM 459 HN ILE 30 -18.849 -15.768 42.006 1.00 0.00 +ATOM 460 CA ILE 30 -17.008 -15.493 40.994 1.00 0.00 C +ATOM 461 HA ILE 30 -16.277 -16.151 41.175 1.00 0.00 +ATOM 462 CB ILE 30 -17.705 -15.786 39.700 1.00 0.00 C +ATOM 463 HB ILE 30 -18.531 -15.228 39.617 1.00 0.00 +ATOM 464 CG2 ILE 30 -16.751 -15.430 38.548 1.00 0.00 C +ATOM 465 HG21 ILE 30 -17.199 -15.619 37.674 1.00 0.00 +ATOM 466 HG22 ILE 30 -16.515 -14.460 38.599 1.00 0.00 +ATOM 467 HG23 ILE 30 -15.919 -15.980 38.622 1.00 0.00 +ATOM 468 CG1 ILE 30 -18.129 -17.264 39.682 1.00 0.00 C +ATOM 469 HG11 ILE 30 -18.752 -17.425 40.448 1.00 0.00 +ATOM 470 HG12 ILE 30 -18.604 -17.448 38.821 1.00 0.00 +ATOM 471 CD ILE 30 -16.957 -18.240 39.802 1.00 0.00 C +ATOM 472 HD1 ILE 30 -17.302 -19.179 39.784 1.00 0.00 +ATOM 473 HD2 ILE 30 -16.328 -18.101 39.037 1.00 0.00 +ATOM 474 HD3 ILE 30 -16.476 -18.078 40.663 1.00 0.00 +ATOM 475 C ILE 30 -16.402 -14.111 40.916 1.00 0.00 C +ATOM 476 O ILE 30 -15.187 -13.976 40.776 1.00 0.00 O +ATOM 477 N GLY 31 -17.210 -13.039 41.042 1.00 0.00 N +ATOM 478 HN GLY 31 -18.172 -13.161 41.285 1.00 0.00 +ATOM 479 CA GLY 31 -16.680 -11.714 40.825 1.00 0.00 C +ATOM 480 HA1 GLY 31 -15.683 -11.759 40.755 1.00 0.00 +ATOM 481 HA2 GLY 31 -17.057 -11.337 39.979 1.00 0.00 +ATOM 482 C GLY 31 -17.082 -10.888 41.985 1.00 0.00 C +ATOM 483 O GLY 31 -16.866 -11.322 43.097 1.00 0.00 O +ATOM 484 N PRO 32 -17.699 -9.761 41.720 1.00 0.00 N +ATOM 485 CD PRO 32 -18.983 -10.415 41.526 1.00 0.00 C +ATOM 486 HD1 PRO 32 -18.842 -11.275 41.035 1.00 0.00 +ATOM 487 HD2 PRO 32 -19.577 -9.817 40.988 1.00 0.00 +ATOM 488 CA PRO 32 -18.163 -8.870 42.751 1.00 0.00 C +ATOM 489 HA PRO 32 -17.449 -8.367 43.237 1.00 0.00 +ATOM 490 CB PRO 32 -18.818 -9.506 43.882 1.00 0.00 C +ATOM 491 HB1 PRO 32 -18.154 -9.850 44.546 1.00 0.00 +ATOM 492 HB2 PRO 32 -19.453 -8.883 44.338 1.00 0.00 +ATOM 493 CG PRO 32 -19.524 -10.640 43.017 1.00 0.00 C +ATOM 494 HG1 PRO 32 -19.269 -11.547 43.353 1.00 0.00 +ATOM 495 HG2 PRO 32 -20.518 -10.539 43.052 1.00 0.00 +ATOM 496 C PRO 32 -19.136 -8.163 41.859 1.00 0.00 C +ATOM 497 O PRO 32 -18.794 -7.703 40.769 1.00 0.00 O +ATOM 498 N CYS 33 -20.334 -7.989 42.422 1.00 0.00 N +ATOM 499 HN CYS 33 -20.425 -8.058 43.415 1.00 0.00 +ATOM 500 CA CYS 33 -21.472 -7.709 41.639 1.00 0.00 C +ATOM 501 HA CYS 33 -21.204 -7.859 40.687 1.00 0.00 +ATOM 502 CB CYS 33 -22.642 -8.611 42.055 1.00 0.00 C +ATOM 503 HB1 CYS 33 -22.268 -9.538 42.031 1.00 0.00 +ATOM 504 HB2 CYS 33 -22.836 -8.354 43.002 1.00 0.00 +ATOM 505 SG CYS 33 -24.099 -8.443 40.997 1.00 0.00 S +ATOM 506 HG1 CYS 33 -24.820 -9.055 41.322 1.00 0.00 +ATOM 507 C CYS 33 -21.842 -6.301 41.870 1.00 0.00 C +ATOM 508 O CYS 33 -21.976 -5.857 43.009 1.00 0.00 O +ATOM 509 N LYS 34 -21.898 -5.544 40.765 1.00 0.00 N +ATOM 510 HN LYS 34 -21.642 -5.925 39.877 1.00 0.00 +ATOM 511 CA LYS 34 -22.326 -4.190 40.872 1.00 0.00 C +ATOM 512 HA LYS 34 -21.858 -3.893 41.704 1.00 0.00 +ATOM 513 CB LYS 34 -21.873 -3.291 39.699 1.00 0.00 C +ATOM 514 HB1 LYS 34 -22.119 -2.348 39.921 1.00 0.00 +ATOM 515 HB2 LYS 34 -20.879 -3.366 39.619 1.00 0.00 +ATOM 516 CG LYS 34 -22.465 -3.605 38.327 1.00 0.00 C +ATOM 517 HG1 LYS 34 -21.924 -3.131 37.632 1.00 0.00 +ATOM 518 HG2 LYS 34 -22.410 -4.592 38.176 1.00 0.00 +ATOM 519 CD LYS 34 -23.923 -3.173 38.185 1.00 0.00 C +ATOM 520 HD1 LYS 34 -24.254 -3.489 37.296 1.00 0.00 +ATOM 521 HD2 LYS 34 -24.449 -3.614 38.912 1.00 0.00 +ATOM 522 CE LYS 34 -24.161 -1.665 38.273 1.00 0.00 C +ATOM 523 HE1 LYS 34 -23.854 -1.318 39.159 1.00 0.00 +ATOM 524 HE2 LYS 34 -23.668 -1.194 37.542 1.00 0.00 +ATOM 525 NZ LYS 34 -25.609 -1.393 38.127 1.00 0.00 N +ATOM 526 HZ1 LYS 34 -25.770 -0.408 38.184 1.00 0.00 +ATOM 527 HZ2 LYS 34 -25.924 -1.732 37.240 1.00 0.00 +ATOM 528 HZ3 LYS 34 -26.110 -1.856 38.858 1.00 0.00 +ATOM 529 C LYS 34 -23.813 -4.119 41.074 1.00 0.00 C +ATOM 530 O LYS 34 -24.270 -3.374 41.940 1.00 0.00 O +ATOM 531 N ASN 35 -24.623 -4.893 40.307 1.00 0.00 N +ATOM 532 HN ASN 35 -24.248 -5.522 39.626 1.00 0.00 +ATOM 533 CA ASN 35 -26.048 -4.773 40.513 1.00 0.00 C +ATOM 534 HA ASN 35 -26.079 -4.585 41.495 1.00 0.00 +ATOM 535 CB ASN 35 -26.761 -3.649 39.722 1.00 0.00 C +ATOM 536 HB1 ASN 35 -27.648 -3.461 40.143 1.00 0.00 +ATOM 537 HB2 ASN 35 -26.199 -2.822 39.745 1.00 0.00 +ATOM 538 CG ASN 35 -26.986 -4.047 38.266 1.00 0.00 C +ATOM 539 OD1 ASN 35 -26.254 -4.849 37.696 1.00 0.00 O +ATOM 540 ND2 ASN 35 -28.044 -3.464 37.639 1.00 0.00 N +ATOM 541 HD21 ASN 35 -28.622 -2.815 38.133 1.00 0.00 +ATOM 542 HD22 ASN 35 -28.243 -3.685 36.684 1.00 0.00 +ATOM 543 C ASN 35 -26.715 -6.047 40.100 1.00 0.00 C +ATOM 544 O ASN 35 -26.146 -6.858 39.370 1.00 0.00 O +ATOM 545 N CYS 36 -27.959 -6.255 40.563 1.00 0.00 N +ATOM 546 HN CYS 36 -28.381 -5.599 41.188 1.00 0.00 +ATOM 547 CA CYS 36 -28.674 -7.425 40.153 1.00 0.00 C +ATOM 548 HA CYS 36 -28.326 -7.602 39.232 1.00 0.00 +ATOM 549 CB CYS 36 -28.433 -8.642 41.068 1.00 0.00 C +ATOM 550 HB1 CYS 36 -28.903 -9.402 40.619 1.00 0.00 +ATOM 551 HB2 CYS 36 -27.445 -8.797 41.040 1.00 0.00 +ATOM 552 SG CYS 36 -29.035 -8.370 42.761 1.00 0.00 S +ATOM 553 HG1 CYS 36 -28.856 -9.184 43.313 1.00 0.00 +ATOM 554 C CYS 36 -30.139 -7.120 40.173 1.00 0.00 C +ATOM 555 O CYS 36 -30.654 -6.559 41.139 1.00 0.00 O +ATOM 556 N LYS 37 -30.861 -7.465 39.087 1.00 0.00 N +ATOM 557 HN LYS 37 -30.419 -7.864 38.284 1.00 0.00 +ATOM 558 CA LYS 37 -32.276 -7.246 39.112 1.00 0.00 C +ATOM 559 HA LYS 37 -32.464 -7.089 40.081 1.00 0.00 +ATOM 560 CB LYS 37 -32.746 -6.031 38.295 1.00 0.00 C +ATOM 561 HB1 LYS 37 -32.258 -6.023 37.422 1.00 0.00 +ATOM 562 HB2 LYS 37 -33.728 -6.118 38.127 1.00 0.00 +ATOM 563 CG LYS 37 -32.491 -4.699 39.006 1.00 0.00 C +ATOM 564 HG1 LYS 37 -31.511 -4.623 39.189 1.00 0.00 +ATOM 565 HG2 LYS 37 -32.775 -3.958 38.397 1.00 0.00 +ATOM 566 CD LYS 37 -33.245 -4.551 40.334 1.00 0.00 C +ATOM 567 HD1 LYS 37 -33.223 -5.431 40.809 1.00 0.00 +ATOM 568 HD2 LYS 37 -32.777 -3.862 40.887 1.00 0.00 +ATOM 569 CE LYS 37 -34.710 -4.126 40.172 1.00 0.00 C +ATOM 570 HE1 LYS 37 -34.771 -3.338 39.559 1.00 0.00 +ATOM 571 HE2 LYS 37 -35.245 -4.883 39.797 1.00 0.00 +ATOM 572 NZ LYS 37 -35.285 -3.747 41.485 1.00 0.00 N +ATOM 573 HZ1 LYS 37 -36.239 -3.473 41.364 1.00 0.00 +ATOM 574 HZ2 LYS 37 -35.239 -4.529 42.107 1.00 0.00 +ATOM 575 HZ3 LYS 37 -34.765 -2.984 41.869 1.00 0.00 +ATOM 576 C LYS 37 -32.954 -8.465 38.579 1.00 0.00 C +ATOM 577 O LYS 37 -32.762 -8.859 37.430 1.00 0.00 O +ATOM 578 N MET 38 -33.782 -9.092 39.430 1.00 0.00 N +ATOM 579 HN MET 38 -33.886 -8.737 40.359 1.00 0.00 +ATOM 580 CA MET 38 -34.520 -10.255 39.043 1.00 0.00 C +ATOM 581 HA MET 38 -33.974 -10.740 38.360 1.00 0.00 +ATOM 582 CB MET 38 -34.805 -11.173 40.245 1.00 0.00 C +ATOM 583 HB1 MET 38 -33.930 -11.451 40.641 1.00 0.00 +ATOM 584 HB2 MET 38 -35.326 -10.651 40.921 1.00 0.00 +ATOM 585 CG MET 38 -35.595 -12.439 39.920 1.00 0.00 C +ATOM 586 HG1 MET 38 -36.494 -12.103 39.640 1.00 0.00 +ATOM 587 HG2 MET 38 -35.123 -12.827 39.128 1.00 0.00 +ATOM 588 SD MET 38 -35.706 -13.623 41.297 1.00 0.00 S +ATOM 589 CE MET 38 -36.721 -12.564 42.367 1.00 0.00 C +ATOM 590 HE1 MET 38 -36.912 -13.042 43.224 1.00 0.00 +ATOM 591 HE2 MET 38 -36.228 -11.716 42.561 1.00 0.00 +ATOM 592 HE3 MET 38 -37.582 -12.351 41.905 1.00 0.00 +ATOM 593 C MET 38 -35.823 -9.744 38.518 1.00 0.00 C +ATOM 594 O MET 38 -36.599 -9.127 39.245 1.00 0.00 O +ATOM 595 N ILE 39 -36.117 -10.020 37.233 1.00 0.00 N +ATOM 596 HN ILE 39 -35.526 -10.614 36.687 1.00 0.00 +ATOM 597 CA ILE 39 -37.297 -9.440 36.670 1.00 0.00 C +ATOM 598 HA ILE 39 -37.358 -8.542 37.105 1.00 0.00 +ATOM 599 CB ILE 39 -37.228 -9.260 35.180 1.00 0.00 C +ATOM 600 HB ILE 39 -37.024 -10.135 34.741 1.00 0.00 +ATOM 601 CG2 ILE 39 -38.602 -8.762 34.707 1.00 0.00 C +ATOM 602 HG21 ILE 39 -38.586 -8.633 33.716 1.00 0.00 +ATOM 603 HG22 ILE 39 -39.301 -9.437 34.944 1.00 0.00 +ATOM 604 HG23 ILE 39 -38.813 -7.892 35.153 1.00 0.00 +ATOM 605 CG1 ILE 39 -36.082 -8.304 34.802 1.00 0.00 C +ATOM 606 HG11 ILE 39 -36.152 -8.091 33.827 1.00 0.00 +ATOM 607 HG12 ILE 39 -36.179 -7.463 35.335 1.00 0.00 +ATOM 608 CD ILE 39 -34.693 -8.878 35.066 1.00 0.00 C +ATOM 609 HD1 ILE 39 -34.000 -8.209 34.799 1.00 0.00 +ATOM 610 HD2 ILE 39 -34.598 -9.087 36.039 1.00 0.00 +ATOM 611 HD3 ILE 39 -34.571 -9.715 34.532 1.00 0.00 +ATOM 612 C ILE 39 -38.459 -10.323 36.976 1.00 0.00 C +ATOM 613 O ILE 39 -38.631 -11.400 36.406 1.00 0.00 O +ATOM 614 N MET 40 -39.305 -9.851 37.909 1.00 0.00 N +ATOM 615 HN MET 40 -39.120 -8.965 38.334 1.00 0.00 +ATOM 616 CA MET 40 -40.463 -10.590 38.305 1.00 0.00 C +ATOM 617 HA MET 40 -40.163 -11.542 38.362 1.00 0.00 +ATOM 618 CB MET 40 -41.031 -10.120 39.656 1.00 0.00 C +ATOM 619 HB1 MET 40 -41.879 -10.618 39.837 1.00 0.00 +ATOM 620 HB2 MET 40 -40.364 -10.325 40.372 1.00 0.00 +ATOM 621 CG MET 40 -41.334 -8.619 39.692 1.00 0.00 C +ATOM 622 HG1 MET 40 -40.436 -8.188 39.597 1.00 0.00 +ATOM 623 HG2 MET 40 -41.869 -8.460 38.862 1.00 0.00 +ATOM 624 SD MET 40 -42.207 -8.046 41.182 1.00 0.00 S +ATOM 625 CE MET 40 -40.792 -8.209 42.308 1.00 0.00 C +ATOM 626 HE1 MET 40 -41.065 -7.931 43.229 1.00 0.00 +ATOM 627 HE2 MET 40 -40.486 -9.161 42.324 1.00 0.00 +ATOM 628 HE3 MET 40 -40.045 -7.624 41.991 1.00 0.00 +ATOM 629 C MET 40 -41.510 -10.350 37.264 1.00 0.00 C +ATOM 630 O MET 40 -42.005 -9.235 37.101 1.00 0.00 O +ATOM 631 N ASP 41 -41.878 -11.419 36.535 1.00 0.00 N +ATOM 632 HN ASP 41 -41.491 -12.316 36.749 1.00 0.00 +ATOM 633 CA ASP 41 -42.815 -11.297 35.456 1.00 0.00 C +ATOM 634 HA ASP 41 -42.730 -10.334 35.201 1.00 0.00 +ATOM 635 CB ASP 41 -42.497 -12.231 34.280 1.00 0.00 C +ATOM 636 HB1 ASP 41 -41.565 -12.068 33.956 1.00 0.00 +ATOM 637 HB2 ASP 41 -42.589 -13.185 34.566 1.00 0.00 +ATOM 638 CG ASP 41 -43.483 -11.937 33.162 1.00 0.00 C +ATOM 639 OD1 ASP 41 -44.109 -10.844 33.177 1.00 0.00 O +ATOM 640 OD2 ASP 41 -43.629 -12.813 32.275 1.00 0.00 O +ATOM 641 C ASP 41 -44.194 -11.649 35.926 1.00 0.00 C +ATOM 642 O ASP 41 -44.409 -12.666 36.584 1.00 0.00 O +ATOM 643 N THR 42 -45.150 -10.734 35.677 1.00 0.00 N +ATOM 644 HN THR 42 -44.877 -9.866 35.263 1.00 0.00 +ATOM 645 CA THR 42 -46.541 -10.938 35.974 1.00 0.00 C +ATOM 646 HA THR 42 -46.490 -11.423 36.847 1.00 0.00 +ATOM 647 CB THR 42 -47.292 -9.656 36.120 1.00 0.00 C +ATOM 648 HB THR 42 -46.819 -9.043 36.753 1.00 0.00 +ATOM 649 OG1 THR 42 -48.552 -9.915 36.718 1.00 0.00 O +ATOM 650 HG1 THR 42 -49.057 -9.057 36.817 1.00 0.00 +ATOM 651 CG2 THR 42 -47.482 -9.022 34.732 1.00 0.00 C +ATOM 652 HG21 THR 42 -47.985 -8.163 34.824 1.00 0.00 +ATOM 653 HG22 THR 42 -46.588 -8.843 34.322 1.00 0.00 +ATOM 654 HG23 THR 42 -47.997 -9.648 34.147 1.00 0.00 +ATOM 655 C THR 42 -47.251 -11.754 34.918 1.00 0.00 C +ATOM 656 O THR 42 -48.142 -12.542 35.234 1.00 0.00 O +ATOM 657 N ALA 43 -46.871 -11.561 33.636 1.00 0.00 N +ATOM 658 HN ALA 43 -46.058 -10.999 33.481 1.00 0.00 +ATOM 659 CA ALA 43 -47.534 -12.094 32.469 1.00 0.00 C +ATOM 660 HA ALA 43 -48.463 -11.753 32.612 1.00 0.00 +ATOM 661 CB ALA 43 -46.905 -11.600 31.156 1.00 0.00 C +ATOM 662 HB1 ALA 43 -47.398 -11.996 30.381 1.00 0.00 +ATOM 663 HB2 ALA 43 -46.962 -10.603 31.113 1.00 0.00 +ATOM 664 HB3 ALA 43 -45.946 -11.881 31.120 1.00 0.00 +ATOM 665 C ALA 43 -47.536 -13.594 32.417 1.00 0.00 C +ATOM 666 O ALA 43 -48.542 -14.183 32.023 1.00 0.00 O +ATOM 667 N GLY 44 -46.442 -14.267 32.834 1.00 0.00 N +ATOM 668 HN GLY 44 -45.671 -13.778 33.241 1.00 0.00 +ATOM 669 CA GLY 44 -46.402 -15.698 32.684 1.00 0.00 C +ATOM 670 HA1 GLY 44 -46.162 -16.104 33.566 1.00 0.00 +ATOM 671 HA2 GLY 44 -47.309 -16.015 32.408 1.00 0.00 +ATOM 672 C GLY 44 -45.379 -16.064 31.642 1.00 0.00 C +ATOM 673 O GLY 44 -45.457 -17.130 31.030 1.00 0.00 O +ATOM 674 N ASN 45 -44.409 -15.156 31.407 1.00 0.00 N +ATOM 675 HN ASN 45 -44.452 -14.297 31.918 1.00 0.00 +ATOM 676 CA ASN 45 -43.317 -15.320 30.482 1.00 0.00 C +ATOM 677 HA ASN 45 -43.704 -15.871 29.742 1.00 0.00 +ATOM 678 CB ASN 45 -42.776 -13.985 29.945 1.00 0.00 C +ATOM 679 HB1 ASN 45 -42.470 -13.409 30.703 1.00 0.00 +ATOM 680 HB2 ASN 45 -42.012 -14.150 29.321 1.00 0.00 +ATOM 681 CG ASN 45 -43.905 -13.292 29.199 1.00 0.00 C +ATOM 682 OD1 ASN 45 -44.324 -13.734 28.131 1.00 0.00 O +ATOM 683 ND2 ASN 45 -44.423 -12.180 29.788 1.00 0.00 N +ATOM 684 HD21 ASN 45 -44.059 -11.862 30.663 1.00 0.00 +ATOM 685 HD22 ASN 45 -45.168 -11.681 29.345 1.00 0.00 +ATOM 686 C ASN 45 -42.186 -15.994 31.202 1.00 0.00 C +ATOM 687 O ASN 45 -42.344 -16.468 32.326 1.00 0.00 O +ATOM 688 N ASP 46 -41.011 -16.087 30.539 1.00 0.00 N +ATOM 689 HN ASP 46 -40.941 -15.714 29.614 1.00 0.00 +ATOM 690 CA ASP 46 -39.861 -16.710 31.135 1.00 0.00 C +ATOM 691 HA ASP 46 -40.239 -17.437 31.708 1.00 0.00 +ATOM 692 CB ASP 46 -38.889 -17.289 30.093 1.00 0.00 C +ATOM 693 HB1 ASP 46 -39.387 -17.880 29.459 1.00 0.00 +ATOM 694 HB2 ASP 46 -38.457 -16.544 29.585 1.00 0.00 +ATOM 695 CG ASP 46 -37.816 -18.103 30.798 1.00 0.00 C +ATOM 696 OD1 ASP 46 -37.974 -18.382 32.016 1.00 0.00 O +ATOM 697 OD2 ASP 46 -36.820 -18.462 30.115 1.00 0.00 O +ATOM 698 C ASP 46 -39.116 -15.662 31.912 1.00 0.00 C +ATOM 699 O ASP 46 -38.690 -14.645 31.365 1.00 0.00 O +ATOM 700 N PRO 47 -38.964 -15.893 33.191 1.00 0.00 N +ATOM 701 CD PRO 47 -39.940 -16.680 33.921 1.00 0.00 C +ATOM 702 HD1 PRO 47 -39.990 -17.602 33.536 1.00 0.00 +ATOM 703 HD2 PRO 47 -40.839 -16.246 33.863 1.00 0.00 +ATOM 704 CA PRO 47 -38.287 -14.958 34.053 1.00 0.00 C +ATOM 705 HA PRO 47 -38.579 -14.034 33.805 1.00 0.00 +ATOM 706 CB PRO 47 -38.688 -15.331 35.484 1.00 0.00 C +ATOM 707 HB1 PRO 47 -37.878 -15.411 36.064 1.00 0.00 +ATOM 708 HB2 PRO 47 -39.304 -14.642 35.865 1.00 0.00 +ATOM 709 CG PRO 47 -39.403 -16.690 35.358 1.00 0.00 C +ATOM 710 HG1 PRO 47 -38.763 -17.446 35.494 1.00 0.00 +ATOM 711 HG2 PRO 47 -40.151 -16.764 36.017 1.00 0.00 +ATOM 712 C PRO 47 -36.809 -14.915 33.823 1.00 0.00 C +ATOM 713 O PRO 47 -36.211 -15.958 33.564 1.00 0.00 O +ATOM 714 N TYR 48 -36.202 -13.714 33.924 1.00 0.00 N +ATOM 715 HN TYR 48 -36.745 -12.909 34.161 1.00 0.00 +ATOM 716 CA TYR 48 -34.794 -13.570 33.699 1.00 0.00 C +ATOM 717 HA TYR 48 -34.427 -14.486 33.863 1.00 0.00 +ATOM 718 CB TYR 48 -34.458 -13.124 32.266 1.00 0.00 C +ATOM 719 HB1 TYR 48 -33.488 -12.890 32.198 1.00 0.00 +ATOM 720 HB2 TYR 48 -34.670 -13.857 31.620 1.00 0.00 +ATOM 721 CG TYR 48 -35.271 -11.921 31.915 1.00 0.00 C +ATOM 722 CD1 TYR 48 -36.587 -12.059 31.532 1.00 0.00 C +ATOM 723 HD1 TYR 48 -36.996 -12.971 31.497 1.00 0.00 +ATOM 724 CE1 TYR 48 -37.346 -10.964 31.197 1.00 0.00 C +ATOM 725 HE1 TYR 48 -38.301 -11.082 30.926 1.00 0.00 +ATOM 726 CZ TYR 48 -36.793 -9.708 31.234 1.00 0.00 C +ATOM 727 OH TYR 48 -37.571 -8.581 30.890 1.00 0.00 O +ATOM 728 HH TYR 48 -37.014 -7.754 30.971 1.00 0.00 +ATOM 729 CD2 TYR 48 -34.724 -10.661 31.947 1.00 0.00 C +ATOM 730 HD2 TYR 48 -33.768 -10.543 32.216 1.00 0.00 +ATOM 731 CE2 TYR 48 -35.479 -9.561 31.613 1.00 0.00 C +ATOM 732 HE2 TYR 48 -35.070 -8.649 31.646 1.00 0.00 +ATOM 733 C TYR 48 -34.240 -12.578 34.675 1.00 0.00 C +ATOM 734 O TYR 48 -34.981 -11.807 35.284 1.00 0.00 O +ATOM 735 N CYS 49 -32.904 -12.595 34.870 1.00 0.00 N +ATOM 736 HN CYS 49 -32.328 -13.226 34.350 1.00 0.00 +ATOM 737 CA CYS 49 -32.317 -11.703 35.827 1.00 0.00 C +ATOM 738 HA CYS 49 -33.053 -11.060 36.040 1.00 0.00 +ATOM 739 CB CYS 49 -31.829 -12.432 37.090 1.00 0.00 C +ATOM 740 HB1 CYS 49 -32.624 -12.947 37.411 1.00 0.00 +ATOM 741 HB2 CYS 49 -31.130 -13.068 36.763 1.00 0.00 +ATOM 742 SG CYS 49 -31.186 -11.306 38.363 1.00 0.00 S +ATOM 743 HG1 CYS 49 -30.886 -11.836 39.156 1.00 0.00 +ATOM 744 C CYS 49 -31.131 -11.031 35.207 1.00 0.00 C +ATOM 745 O CYS 49 -30.400 -11.629 34.418 1.00 0.00 O +ATOM 746 N PHE 50 -30.919 -9.741 35.544 1.00 0.00 N +ATOM 747 HN PHE 50 -31.557 -9.259 36.145 1.00 0.00 +ATOM 748 CA PHE 50 -29.763 -9.078 35.024 1.00 0.00 C +ATOM 749 HA PHE 50 -29.454 -9.713 34.316 1.00 0.00 +ATOM 750 CB PHE 50 -30.024 -7.696 34.397 1.00 0.00 C +ATOM 751 HB1 PHE 50 -30.580 -7.132 35.007 1.00 0.00 +ATOM 752 HB2 PHE 50 -29.162 -7.228 34.204 1.00 0.00 +ATOM 753 CG PHE 50 -30.761 -7.919 33.121 1.00 0.00 C +ATOM 754 CD1 PHE 50 -30.085 -8.321 31.991 1.00 0.00 C +ATOM 755 HD1 PHE 50 -29.095 -8.459 32.031 1.00 0.00 +ATOM 756 CE1 PHE 50 -30.752 -8.535 30.809 1.00 0.00 C +ATOM 757 HE1 PHE 50 -30.247 -8.818 29.994 1.00 0.00 +ATOM 758 CZ PHE 50 -32.113 -8.359 30.749 1.00 0.00 C +ATOM 759 HZ PHE 50 -32.603 -8.514 29.891 1.00 0.00 +ATOM 760 CD2 PHE 50 -32.125 -7.753 33.055 1.00 0.00 C +ATOM 761 HD2 PHE 50 -32.631 -7.474 33.871 1.00 0.00 +ATOM 762 CE2 PHE 50 -32.797 -7.968 31.876 1.00 0.00 C +ATOM 763 HE2 PHE 50 -33.788 -7.840 31.837 1.00 0.00 +ATOM 764 C PHE 50 -28.784 -8.896 36.136 1.00 0.00 C +ATOM 765 O PHE 50 -29.068 -8.237 37.135 1.00 0.00 O +ATOM 766 N VAL 51 -27.587 -9.495 35.989 1.00 0.00 N +ATOM 767 HN VAL 51 -27.395 -10.046 35.177 1.00 0.00 +ATOM 768 CA VAL 51 -26.591 -9.337 37.006 1.00 0.00 C +ATOM 769 HA VAL 51 -27.033 -8.788 37.715 1.00 0.00 +ATOM 770 CB VAL 51 -26.148 -10.636 37.622 1.00 0.00 C +ATOM 771 HB VAL 51 -25.382 -10.485 38.247 1.00 0.00 +ATOM 772 CG1 VAL 51 -27.320 -11.216 38.432 1.00 0.00 C +ATOM 773 HG11 VAL 51 -27.041 -12.081 38.849 1.00 0.00 +ATOM 774 HG12 VAL 51 -27.582 -10.570 39.149 1.00 0.00 +ATOM 775 HG13 VAL 51 -28.099 -11.374 37.825 1.00 0.00 +ATOM 776 CG2 VAL 51 -25.661 -11.577 36.507 1.00 0.00 C +ATOM 777 HG21 VAL 51 -25.364 -12.444 36.908 1.00 0.00 +ATOM 778 HG22 VAL 51 -26.408 -11.746 35.863 1.00 0.00 +ATOM 779 HG23 VAL 51 -24.894 -11.153 36.024 1.00 0.00 +ATOM 780 C VAL 51 -25.402 -8.670 36.386 1.00 0.00 C +ATOM 781 O VAL 51 -24.904 -9.102 35.347 1.00 0.00 O +ATOM 782 N GLU 52 -24.908 -7.585 37.017 1.00 0.00 N +ATOM 783 HN GLU 52 -25.318 -7.270 37.873 1.00 0.00 +ATOM 784 CA GLU 52 -23.791 -6.886 36.451 1.00 0.00 C +ATOM 785 HA GLU 52 -23.659 -7.350 35.575 1.00 0.00 +ATOM 786 CB GLU 52 -24.016 -5.387 36.215 1.00 0.00 C +ATOM 787 HB1 GLU 52 -24.329 -4.973 37.070 1.00 0.00 +ATOM 788 HB2 GLU 52 -23.147 -4.973 35.943 1.00 0.00 +ATOM 789 CG GLU 52 -25.051 -5.094 35.130 1.00 0.00 C +ATOM 790 HG1 GLU 52 -24.761 -5.493 34.260 1.00 0.00 +ATOM 791 HG2 GLU 52 -25.940 -5.472 35.390 1.00 0.00 +ATOM 792 CD GLU 52 -25.147 -3.582 35.001 1.00 0.00 C +ATOM 793 OE1 GLU 52 -24.121 -2.960 34.616 1.00 0.00 O +ATOM 794 OE2 GLU 52 -26.240 -3.027 35.289 1.00 0.00 O +ATOM 795 C GLU 52 -22.640 -7.014 37.390 1.00 0.00 C +ATOM 796 O GLU 52 -22.814 -7.004 38.608 1.00 0.00 O +ATOM 797 N PHE 53 -21.422 -7.141 36.831 1.00 0.00 N +ATOM 798 HN PHE 53 -21.330 -7.111 35.836 1.00 0.00 +ATOM 799 CA PHE 53 -20.260 -7.318 37.643 1.00 0.00 C +ATOM 800 HA PHE 53 -20.643 -7.412 38.562 1.00 0.00 +ATOM 801 CB PHE 53 -19.419 -8.545 37.252 1.00 0.00 C +ATOM 802 HB1 PHE 53 -19.179 -8.512 36.282 1.00 0.00 +ATOM 803 HB2 PHE 53 -18.584 -8.589 37.801 1.00 0.00 +ATOM 804 CG PHE 53 -20.245 -9.755 37.514 1.00 0.00 C +ATOM 805 CD1 PHE 53 -20.242 -10.342 38.758 1.00 0.00 C +ATOM 806 HD1 PHE 53 -19.678 -9.952 39.486 1.00 0.00 +ATOM 807 CE1 PHE 53 -21.003 -11.456 39.012 1.00 0.00 C +ATOM 808 HE1 PHE 53 -20.990 -11.873 39.921 1.00 0.00 +ATOM 809 CZ PHE 53 -21.782 -11.998 38.018 1.00 0.00 C +ATOM 810 HZ PHE 53 -22.337 -12.809 38.200 1.00 0.00 +ATOM 811 CD2 PHE 53 -21.032 -10.301 36.525 1.00 0.00 C +ATOM 812 HD2 PHE 53 -21.050 -9.881 35.618 1.00 0.00 +ATOM 813 CE2 PHE 53 -21.793 -11.418 36.773 1.00 0.00 C +ATOM 814 HE2 PHE 53 -22.356 -11.810 36.045 1.00 0.00 +ATOM 815 C PHE 53 -19.375 -6.130 37.493 1.00 0.00 C +ATOM 816 O PHE 53 -19.470 -5.368 36.531 1.00 0.00 O +ATOM 817 N HIS 54 -18.524 -5.928 38.516 1.00 0.00 N +ATOM 818 HN HIS 54 -18.575 -6.541 39.305 1.00 0.00 +ATOM 819 CA HIS 54 -17.552 -4.881 38.530 1.00 0.00 C +ATOM 820 HA HIS 54 -18.070 -4.059 38.294 1.00 0.00 +ATOM 821 CB HIS 54 -16.877 -4.710 39.900 1.00 0.00 C +ATOM 822 HB1 HIS 54 -16.564 -5.600 40.233 1.00 0.00 +ATOM 823 HB2 HIS 54 -16.095 -4.093 39.813 1.00 0.00 +ATOM 824 ND1 HIS 54 -18.558 -4.880 41.800 1.00 0.00 N +ATOM 825 CG HIS 54 -17.826 -4.135 40.905 1.00 0.00 C +ATOM 826 CE1 HIS 54 -19.312 -4.005 42.513 1.00 0.00 C +ATOM 827 HE1 HIS 54 -19.944 -4.277 43.239 1.00 0.00 +ATOM 828 NE2 HIS 54 -19.115 -2.754 42.139 1.00 0.00 N +ATOM 829 HE2 HIS 54 -19.546 -1.930 42.506 1.00 0.00 +ATOM 830 CD2 HIS 54 -18.177 -2.839 41.124 1.00 0.00 C +ATOM 831 HD2 HIS 54 -17.809 -2.057 40.622 1.00 0.00 +ATOM 832 C HIS 54 -16.504 -5.197 37.516 1.00 0.00 C +ATOM 833 O HIS 54 -15.934 -4.290 36.908 1.00 0.00 O +ATOM 834 N GLU 55 -16.180 -6.489 37.316 1.00 0.00 N +ATOM 835 HN GLU 55 -16.609 -7.248 37.805 1.00 0.00 +ATOM 836 CA GLU 55 -15.160 -6.662 36.333 1.00 0.00 C +ATOM 837 HA GLU 55 -15.141 -5.774 35.873 1.00 0.00 +ATOM 838 CB GLU 55 -13.763 -6.921 36.924 1.00 0.00 C +ATOM 839 HB1 GLU 55 -13.085 -6.587 36.270 1.00 0.00 +ATOM 840 HB2 GLU 55 -13.688 -6.403 37.776 1.00 0.00 +ATOM 841 CG GLU 55 -13.409 -8.359 37.242 1.00 0.00 C +ATOM 842 HG1 GLU 55 -12.997 -8.427 38.150 1.00 0.00 +ATOM 843 HG2 GLU 55 -14.223 -8.939 37.201 1.00 0.00 +ATOM 844 CD GLU 55 -12.412 -8.759 36.170 1.00 0.00 C +ATOM 845 OE1 GLU 55 -12.312 -8.019 35.154 1.00 0.00 O +ATOM 846 OE2 GLU 55 -11.729 -9.800 36.360 1.00 0.00 O +ATOM 847 C GLU 55 -15.562 -7.718 35.351 1.00 0.00 C +ATOM 848 O GLU 55 -16.040 -8.795 35.708 1.00 0.00 O +ATOM 849 N HIS 56 -15.370 -7.391 34.059 1.00 0.00 N +ATOM 850 HN HIS 56 -14.913 -6.521 33.873 1.00 0.00 +ATOM 851 CA HIS 56 -15.762 -8.178 32.924 1.00 0.00 C +ATOM 852 HA HIS 56 -16.736 -8.337 33.083 1.00 0.00 +ATOM 853 CB HIS 56 -15.492 -7.448 31.604 1.00 0.00 C +ATOM 854 HB1 HIS 56 -15.941 -6.555 31.630 1.00 0.00 +ATOM 855 HB2 HIS 56 -14.506 -7.323 31.498 1.00 0.00 +ATOM 856 ND1 HIS 56 -17.252 -8.002 29.872 1.00 0.00 N +ATOM 857 CG HIS 56 -15.994 -8.180 30.399 1.00 0.00 C +ATOM 858 CE1 HIS 56 -17.336 -8.805 28.783 1.00 0.00 C +ATOM 859 HE1 HIS 56 -18.147 -8.873 28.203 1.00 0.00 +ATOM 860 NE2 HIS 56 -16.223 -9.487 28.576 1.00 0.00 N +ATOM 861 HE2 HIS 56 -16.034 -10.142 27.844 1.00 0.00 +ATOM 862 CD2 HIS 56 -15.379 -9.093 29.598 1.00 0.00 C +ATOM 863 HD2 HIS 56 -14.447 -9.431 29.730 1.00 0.00 +ATOM 864 C HIS 56 -14.999 -9.463 32.876 1.00 0.00 C +ATOM 865 O HIS 56 -15.539 -10.496 32.486 1.00 0.00 O +ATOM 866 N ARG 57 -13.708 -9.421 33.253 1.00 0.00 N +ATOM 867 HN ARG 57 -13.322 -8.558 33.578 1.00 0.00 +ATOM 868 CA ARG 57 -12.873 -10.586 33.200 1.00 0.00 C +ATOM 869 HA ARG 57 -12.887 -10.844 32.234 1.00 0.00 +ATOM 870 CB ARG 57 -11.434 -10.321 33.681 1.00 0.00 C +ATOM 871 HB1 ARG 57 -11.481 -9.732 34.488 1.00 0.00 +ATOM 872 HB2 ARG 57 -11.025 -11.198 33.932 1.00 0.00 +ATOM 873 CG ARG 57 -10.508 -9.648 32.663 1.00 0.00 C +ATOM 874 HG1 ARG 57 -11.037 -8.982 32.138 1.00 0.00 +ATOM 875 HG2 ARG 57 -9.775 -9.178 33.155 1.00 0.00 +ATOM 876 CD ARG 57 -9.883 -10.653 31.694 1.00 0.00 C +ATOM 877 HD1 ARG 57 -10.575 -11.020 31.073 1.00 0.00 +ATOM 878 HD2 ARG 57 -9.153 -10.222 31.163 1.00 0.00 +ATOM 879 NE ARG 57 -9.316 -11.758 32.519 1.00 0.00 N +ATOM 880 HE ARG 57 -9.026 -11.580 33.459 1.00 0.00 +ATOM 881 CZ ARG 57 -9.192 -13.012 31.994 1.00 0.00 C +ATOM 882 NH1 ARG 57 -9.519 -13.243 30.690 1.00 0.00 N +ATOM 883 HH11 ARG 57 -9.850 -12.493 30.117 1.00 0.00 +ATOM 884 HH12 ARG 57 -9.428 -14.162 30.307 1.00 0.00 +ATOM 885 NH2 ARG 57 -8.738 -14.035 32.775 1.00 0.00 N +ATOM 886 HH21 ARG 57 -8.497 -13.865 33.731 1.00 0.00 +ATOM 887 HH22 ARG 57 -8.647 -14.954 32.392 1.00 0.00 +ATOM 888 C ARG 57 -13.457 -11.634 34.094 1.00 0.00 C +ATOM 889 O ARG 57 -13.457 -12.813 33.744 1.00 0.00 O +ATOM 890 N HIS 58 -13.937 -11.229 35.289 1.00 0.00 N +ATOM 891 HN HIS 58 -13.873 -10.261 35.530 1.00 0.00 +ATOM 892 CA HIS 58 -14.538 -12.140 36.230 1.00 0.00 C +ATOM 893 HA HIS 58 -13.845 -12.860 36.255 1.00 0.00 +ATOM 894 CB HIS 58 -14.774 -11.568 37.646 1.00 0.00 C +ATOM 895 HB1 HIS 58 -15.179 -10.657 37.567 1.00 0.00 +ATOM 896 HB2 HIS 58 -15.401 -12.170 38.141 1.00 0.00 +ATOM 897 ND1 HIS 58 -13.201 -10.367 39.261 1.00 0.00 N +ATOM 898 CG HIS 58 -13.516 -11.444 38.460 1.00 0.00 C +ATOM 899 CE1 HIS 58 -11.982 -10.623 39.802 1.00 0.00 C +ATOM 900 HE1 HIS 58 -11.508 -10.003 40.428 1.00 0.00 +ATOM 901 NE2 HIS 58 -11.494 -11.785 39.407 1.00 0.00 N +ATOM 902 HE2 HIS 58 -10.620 -12.200 39.660 1.00 0.00 +ATOM 903 CD2 HIS 58 -12.463 -12.300 38.565 1.00 0.00 C +ATOM 904 HD2 HIS 58 -12.399 -13.181 38.097 1.00 0.00 +ATOM 905 C HIS 58 -15.860 -12.629 35.720 1.00 0.00 C +ATOM 906 O HIS 58 -16.227 -13.781 35.944 1.00 0.00 O +ATOM 907 N ALA 59 -16.610 -11.764 35.014 1.00 0.00 N +ATOM 908 HN ALA 59 -16.237 -10.857 34.816 1.00 0.00 +ATOM 909 CA ALA 59 -17.926 -12.088 34.531 1.00 0.00 C +ATOM 910 HA ALA 59 -18.440 -12.289 35.365 1.00 0.00 +ATOM 911 CB ALA 59 -18.574 -10.937 33.744 1.00 0.00 C +ATOM 912 HB1 ALA 59 -19.483 -11.216 33.433 1.00 0.00 +ATOM 913 HB2 ALA 59 -18.655 -10.134 34.334 1.00 0.00 +ATOM 914 HB3 ALA 59 -18.005 -10.713 32.952 1.00 0.00 +ATOM 915 C ALA 59 -17.839 -13.268 33.611 1.00 0.00 C +ATOM 916 O ALA 59 -18.744 -14.101 33.573 1.00 0.00 O +ATOM 917 N ALA 60 -16.745 -13.365 32.833 1.00 0.00 N +ATOM 918 HN ALA 60 -16.023 -12.678 32.919 1.00 0.00 +ATOM 919 CA ALA 60 -16.588 -14.430 31.883 1.00 0.00 C +ATOM 920 HA ALA 60 -17.366 -14.310 31.266 1.00 0.00 +ATOM 921 CB ALA 60 -15.251 -14.360 31.124 1.00 0.00 C +ATOM 922 HB1 ALA 60 -15.194 -15.122 30.478 1.00 0.00 +ATOM 923 HB2 ALA 60 -15.196 -13.495 30.625 1.00 0.00 +ATOM 924 HB3 ALA 60 -14.494 -14.418 31.775 1.00 0.00 +ATOM 925 C ALA 60 -16.616 -15.743 32.606 1.00 0.00 C +ATOM 926 O ALA 60 -17.211 -16.704 32.123 1.00 0.00 O +ATOM 927 N ALA 61 -15.961 -15.821 33.780 1.00 0.00 N +ATOM 928 HN ALA 61 -15.504 -15.004 34.132 1.00 0.00 +ATOM 929 CA ALA 61 -15.895 -17.036 34.546 1.00 0.00 C +ATOM 930 HA ALA 61 -15.529 -17.704 33.898 1.00 0.00 +ATOM 931 CB ALA 61 -14.989 -16.900 35.782 1.00 0.00 C +ATOM 932 HB1 ALA 61 -14.974 -17.766 36.281 1.00 0.00 +ATOM 933 HB2 ALA 61 -14.061 -16.667 35.491 1.00 0.00 +ATOM 934 HB3 ALA 61 -15.343 -16.178 36.377 1.00 0.00 +ATOM 935 C ALA 61 -17.266 -17.417 35.017 1.00 0.00 C +ATOM 936 O ALA 61 -17.630 -18.592 35.020 1.00 0.00 O +ATOM 937 N ALA 62 -18.062 -16.419 35.436 1.00 0.00 N +ATOM 938 HN ALA 62 -17.718 -15.481 35.385 1.00 0.00 +ATOM 939 CA ALA 62 -19.382 -16.637 35.953 1.00 0.00 C +ATOM 940 HA ALA 62 -19.235 -17.273 36.711 1.00 0.00 +ATOM 941 CB ALA 62 -20.051 -15.333 36.417 1.00 0.00 C +ATOM 942 HB1 ALA 62 -20.966 -15.534 36.768 1.00 0.00 +ATOM 943 HB2 ALA 62 -19.501 -14.915 37.140 1.00 0.00 +ATOM 944 HB3 ALA 62 -20.122 -14.702 35.645 1.00 0.00 +ATOM 945 C ALA 62 -20.249 -17.222 34.890 1.00 0.00 C +ATOM 946 O ALA 62 -21.096 -18.074 35.156 1.00 0.00 O +ATOM 947 N LEU 63 -20.075 -16.768 33.641 1.00 0.00 N +ATOM 948 HN LEU 63 -19.332 -16.132 33.433 1.00 0.00 +ATOM 949 CA LEU 63 -20.965 -17.203 32.608 1.00 0.00 C +ATOM 950 HA LEU 63 -21.883 -17.006 32.951 1.00 0.00 +ATOM 951 CB LEU 63 -20.716 -16.421 31.303 1.00 0.00 C +ATOM 952 HB1 LEU 63 -20.784 -15.445 31.512 1.00 0.00 +ATOM 953 HB2 LEU 63 -19.790 -16.631 30.991 1.00 0.00 +ATOM 954 CG LEU 63 -21.683 -16.723 30.145 1.00 0.00 C +ATOM 955 HG LEU 63 -22.615 -16.687 30.506 1.00 0.00 +ATOM 956 CD1 LEU 63 -21.549 -15.665 29.042 1.00 0.00 C +ATOM 957 HD11 LEU 63 -22.184 -15.876 28.299 1.00 0.00 +ATOM 958 HD12 LEU 63 -21.764 -14.763 29.417 1.00 0.00 +ATOM 959 HD13 LEU 63 -20.613 -15.666 28.691 1.00 0.00 +ATOM 960 CD2 LEU 63 -21.469 -18.134 29.580 1.00 0.00 C +ATOM 961 HD21 LEU 63 -22.113 -18.295 28.832 1.00 0.00 +ATOM 962 HD22 LEU 63 -20.533 -18.218 29.238 1.00 0.00 +ATOM 963 HD23 LEU 63 -21.622 -18.809 30.302 1.00 0.00 +ATOM 964 C LEU 63 -20.861 -18.687 32.416 1.00 0.00 C +ATOM 965 O LEU 63 -21.873 -19.386 32.417 1.00 0.00 O +ATOM 966 N ALA 64 -19.633 -19.221 32.295 1.00 0.00 N +ATOM 967 HN ALA 64 -18.830 -18.628 32.356 1.00 0.00 +ATOM 968 CA ALA 64 -19.456 -20.630 32.079 1.00 0.00 C +ATOM 969 HA ALA 64 -20.023 -20.811 31.275 1.00 0.00 +ATOM 970 CB ALA 64 -17.985 -21.010 31.830 1.00 0.00 C +ATOM 971 HB1 ALA 64 -17.916 -21.997 31.686 1.00 0.00 +ATOM 972 HB2 ALA 64 -17.649 -20.530 31.019 1.00 0.00 +ATOM 973 HB3 ALA 64 -17.435 -20.749 32.623 1.00 0.00 +ATOM 974 C ALA 64 -19.931 -21.397 33.274 1.00 0.00 C +ATOM 975 O ALA 64 -20.553 -22.448 33.135 1.00 0.00 O +ATOM 976 N ALA 65 -19.630 -20.904 34.490 1.00 0.00 N +ATOM 977 HN ALA 65 -19.166 -20.022 34.568 1.00 0.00 +ATOM 978 CA ALA 65 -19.971 -21.636 35.673 1.00 0.00 C +ATOM 979 HA ALA 65 -19.559 -22.530 35.494 1.00 0.00 +ATOM 980 CB ALA 65 -19.409 -20.986 36.947 1.00 0.00 C +ATOM 981 HB1 ALA 65 -19.672 -21.531 37.743 1.00 0.00 +ATOM 982 HB2 ALA 65 -18.412 -20.943 36.887 1.00 0.00 +ATOM 983 HB3 ALA 65 -19.777 -20.061 37.040 1.00 0.00 +ATOM 984 C ALA 65 -21.457 -21.753 35.835 1.00 0.00 C +ATOM 985 O ALA 65 -21.950 -22.810 36.214 1.00 0.00 O +ATOM 986 N MET 66 -22.198 -20.640 35.660 1.00 0.00 N +ATOM 987 HN MET 66 -21.726 -19.790 35.427 1.00 0.00 +ATOM 988 CA MET 66 -23.634 -20.609 35.790 1.00 0.00 C +ATOM 989 HA MET 66 -23.751 -21.284 36.519 1.00 0.00 +ATOM 990 CB MET 66 -24.147 -19.216 36.186 1.00 0.00 C +ATOM 991 HB1 MET 66 -23.722 -18.529 35.596 1.00 0.00 +ATOM 992 HB2 MET 66 -25.140 -19.186 36.071 1.00 0.00 +ATOM 993 CG MET 66 -23.803 -18.904 37.645 1.00 0.00 C +ATOM 994 HG1 MET 66 -24.267 -18.038 37.829 1.00 0.00 +ATOM 995 HG2 MET 66 -24.244 -19.635 38.165 1.00 0.00 +ATOM 996 SD MET 66 -22.019 -18.807 37.984 1.00 0.00 S +ATOM 997 CE MET 66 -22.108 -19.138 39.768 1.00 0.00 C +ATOM 998 HE1 MET 66 -21.186 -19.126 40.156 1.00 0.00 +ATOM 999 HE2 MET 66 -22.664 -18.435 40.210 1.00 0.00 +ATOM 1000 HE3 MET 66 -22.522 -20.035 39.920 1.00 0.00 +ATOM 1001 C MET 66 -24.410 -21.123 34.608 1.00 0.00 C +ATOM 1002 O MET 66 -25.474 -21.715 34.778 1.00 0.00 O +ATOM 1003 N ASN 67 -23.927 -20.903 33.370 1.00 0.00 N +ATOM 1004 HN ASN 67 -23.017 -20.508 33.248 1.00 0.00 +ATOM 1005 CA ASN 67 -24.730 -21.241 32.224 1.00 0.00 C +ATOM 1006 HA ASN 67 -25.570 -20.727 32.397 1.00 0.00 +ATOM 1007 CB ASN 67 -24.090 -20.832 30.881 1.00 0.00 C +ATOM 1008 HB1 ASN 67 -23.854 -19.861 30.901 1.00 0.00 +ATOM 1009 HB2 ASN 67 -23.264 -21.373 30.721 1.00 0.00 +ATOM 1010 CG ASN 67 -25.090 -21.088 29.755 1.00 0.00 C +ATOM 1011 OD1 ASN 67 -26.200 -20.557 29.754 1.00 0.00 O +ATOM 1012 ND2 ASN 67 -24.688 -21.929 28.765 1.00 0.00 N +ATOM 1013 HD21 ASN 67 -23.779 -22.344 28.800 1.00 0.00 +ATOM 1014 HD22 ASN 67 -25.302 -22.133 28.002 1.00 0.00 +ATOM 1015 C ASN 67 -24.985 -22.714 32.177 1.00 0.00 C +ATOM 1016 O ASN 67 -24.070 -23.528 32.290 1.00 0.00 O +ATOM 1017 N GLY 68 -26.270 -23.084 32.001 1.00 0.00 N +ATOM 1018 HN GLY 68 -26.981 -22.382 31.963 1.00 0.00 +ATOM 1019 CA GLY 68 -26.636 -24.464 31.868 1.00 0.00 C +ATOM 1020 HA1 GLY 68 -27.541 -24.515 31.446 1.00 0.00 +ATOM 1021 HA2 GLY 68 -25.967 -24.916 31.278 1.00 0.00 +ATOM 1022 C GLY 68 -26.656 -25.108 33.218 1.00 0.00 C +ATOM 1023 O GLY 68 -26.710 -26.333 33.316 1.00 0.00 O +ATOM 1024 N ARG 69 -26.611 -24.304 34.296 1.00 0.00 N +ATOM 1025 HN ARG 69 -26.578 -23.311 34.179 1.00 0.00 +ATOM 1026 CA ARG 69 -26.610 -24.871 35.613 1.00 0.00 C +ATOM 1027 HA ARG 69 -26.034 -25.684 35.533 1.00 0.00 +ATOM 1028 CB ARG 69 -26.036 -23.930 36.689 1.00 0.00 C +ATOM 1029 HB1 ARG 69 -25.217 -23.489 36.322 1.00 0.00 +ATOM 1030 HB2 ARG 69 -26.722 -23.235 36.903 1.00 0.00 +ATOM 1031 CG ARG 69 -25.655 -24.642 37.988 1.00 0.00 C +ATOM 1032 HG1 ARG 69 -26.473 -25.082 38.359 1.00 0.00 +ATOM 1033 HG2 ARG 69 -24.969 -25.338 37.778 1.00 0.00 +ATOM 1034 CD ARG 69 -25.083 -23.704 39.053 1.00 0.00 C +ATOM 1035 HD1 ARG 69 -25.754 -23.003 39.296 1.00 0.00 +ATOM 1036 HD2 ARG 69 -24.829 -24.220 39.871 1.00 0.00 +ATOM 1037 NE ARG 69 -23.871 -23.050 38.489 1.00 0.00 N +ATOM 1038 HE ARG 69 -23.856 -22.756 37.533 1.00 0.00 +ATOM 1039 CZ ARG 69 -22.779 -22.854 39.285 1.00 0.00 C +ATOM 1040 NH1 ARG 69 -22.779 -23.341 40.560 1.00 0.00 N +ATOM 1041 HH11 ARG 69 -23.575 -23.838 40.906 1.00 0.00 +ATOM 1042 HH12 ARG 69 -21.983 -23.201 41.149 1.00 0.00 +ATOM 1043 NH2 ARG 69 -21.691 -22.180 38.810 1.00 0.00 N +ATOM 1044 HH21 ARG 69 -21.691 -21.827 37.874 1.00 0.00 +ATOM 1045 HH22 ARG 69 -20.894 -22.040 39.398 1.00 0.00 +ATOM 1046 C ARG 69 -28.028 -25.186 35.971 1.00 0.00 C +ATOM 1047 O ARG 69 -28.949 -24.474 35.574 1.00 0.00 O +ATOM 1048 N LYS 70 -28.233 -26.282 36.728 1.00 0.00 N +ATOM 1049 HN LYS 70 -27.449 -26.825 37.027 1.00 0.00 +ATOM 1050 CA LYS 70 -29.554 -26.684 37.112 1.00 0.00 C +ATOM 1051 HA LYS 70 -30.142 -26.319 36.390 1.00 0.00 +ATOM 1052 CB LYS 70 -29.713 -28.210 37.235 1.00 0.00 C +ATOM 1053 HB1 LYS 70 -29.500 -28.624 36.350 1.00 0.00 +ATOM 1054 HB2 LYS 70 -29.068 -28.543 37.923 1.00 0.00 +ATOM 1055 CG LYS 70 -31.121 -28.649 37.645 1.00 0.00 C +ATOM 1056 HG1 LYS 70 -31.293 -28.324 38.575 1.00 0.00 +ATOM 1057 HG2 LYS 70 -31.776 -28.227 37.018 1.00 0.00 +ATOM 1058 CD LYS 70 -31.337 -30.165 37.618 1.00 0.00 C +ATOM 1059 HD1 LYS 70 -31.353 -30.465 36.664 1.00 0.00 +ATOM 1060 HD2 LYS 70 -30.572 -30.601 38.092 1.00 0.00 +ATOM 1061 CE LYS 70 -32.639 -30.614 38.287 1.00 0.00 C +ATOM 1062 HE1 LYS 70 -32.676 -30.274 39.227 1.00 0.00 +ATOM 1063 HE2 LYS 70 -33.424 -30.266 37.775 1.00 0.00 +ATOM 1064 NZ LYS 70 -32.710 -32.093 38.316 1.00 0.00 N +ATOM 1065 HZ1 LYS 70 -33.563 -32.377 38.754 1.00 0.00 +ATOM 1066 HZ2 LYS 70 -32.682 -32.446 37.381 1.00 0.00 +ATOM 1067 HZ3 LYS 70 -31.933 -32.454 38.832 1.00 0.00 +ATOM 1068 C LYS 70 -29.827 -26.111 38.464 1.00 0.00 C +ATOM 1069 O LYS 70 -29.073 -26.347 39.408 1.00 0.00 O +ATOM 1070 N ILE 71 -30.917 -25.323 38.583 1.00 0.00 N +ATOM 1071 HN ILE 71 -31.497 -25.158 37.785 1.00 0.00 +ATOM 1072 CA ILE 71 -31.254 -24.718 39.842 1.00 0.00 C +ATOM 1073 HA ILE 71 -30.589 -25.096 40.486 1.00 0.00 +ATOM 1074 CB ILE 71 -31.197 -23.217 39.784 1.00 0.00 C +ATOM 1075 HB ILE 71 -31.815 -22.888 39.070 1.00 0.00 +ATOM 1076 CG2 ILE 71 -31.663 -22.687 41.150 1.00 0.00 C +ATOM 1077 HG21 ILE 71 -31.637 -21.687 41.146 1.00 0.00 +ATOM 1078 HG22 ILE 71 -32.598 -22.996 41.326 1.00 0.00 +ATOM 1079 HG23 ILE 71 -31.057 -23.033 41.866 1.00 0.00 +ATOM 1080 CG1 ILE 71 -29.805 -22.709 39.363 1.00 0.00 C +ATOM 1081 HG11 ILE 71 -29.539 -23.175 38.519 1.00 0.00 +ATOM 1082 HG12 ILE 71 -29.864 -21.725 39.196 1.00 0.00 +ATOM 1083 CD ILE 71 -28.710 -22.946 40.397 1.00 0.00 C +ATOM 1084 HD1 ILE 71 -27.842 -22.590 40.051 1.00 0.00 +ATOM 1085 HD2 ILE 71 -28.947 -22.476 41.247 1.00 0.00 +ATOM 1086 HD3 ILE 71 -28.623 -23.927 40.571 1.00 0.00 +ATOM 1087 C ILE 71 -32.701 -25.016 40.140 1.00 0.00 C +ATOM 1088 O ILE 71 -33.585 -24.651 39.369 1.00 0.00 O +ATOM 1089 N MET 72 -32.981 -25.712 41.263 1.00 0.00 N +ATOM 1090 HN MET 72 -32.217 -26.085 41.789 1.00 0.00 +ATOM 1091 CA MET 72 -34.319 -25.949 41.747 1.00 0.00 C +ATOM 1092 HA MET 72 -34.130 -26.384 42.627 1.00 0.00 +ATOM 1093 CB MET 72 -35.170 -24.676 41.892 1.00 0.00 C +ATOM 1094 HB1 MET 72 -35.196 -24.212 41.007 1.00 0.00 +ATOM 1095 HB2 MET 72 -36.097 -24.945 42.155 1.00 0.00 +ATOM 1096 CG MET 72 -34.655 -23.683 42.929 1.00 0.00 C +ATOM 1097 HG1 MET 72 -33.726 -23.472 42.624 1.00 0.00 +ATOM 1098 HG2 MET 72 -35.237 -22.879 42.806 1.00 0.00 +ATOM 1099 SD MET 72 -34.687 -24.288 44.640 1.00 0.00 S +ATOM 1100 CE MET 72 -34.330 -22.660 45.360 1.00 0.00 C +ATOM 1101 HE1 MET 72 -34.294 -22.737 46.356 1.00 0.00 +ATOM 1102 HE2 MET 72 -33.449 -22.331 45.019 1.00 0.00 +ATOM 1103 HE3 MET 72 -35.050 -22.016 45.101 1.00 0.00 +ATOM 1104 C MET 72 -35.084 -26.820 40.793 1.00 0.00 C +ATOM 1105 O MET 72 -36.198 -27.246 41.093 1.00 0.00 O +ATOM 1106 N GLY 73 -34.487 -27.225 39.672 1.00 0.00 N +ATOM 1107 HN GLY 73 -33.528 -27.026 39.471 1.00 0.00 +ATOM 1108 CA GLY 73 -35.326 -27.968 38.776 1.00 0.00 C +ATOM 1109 HA1 GLY 73 -34.898 -28.857 38.610 1.00 0.00 +ATOM 1110 HA2 GLY 73 -36.214 -28.102 39.216 1.00 0.00 +ATOM 1111 C GLY 73 -35.498 -27.229 37.483 1.00 0.00 C +ATOM 1112 O GLY 73 -36.326 -27.612 36.658 1.00 0.00 O +ATOM 1113 N LYS 74 -34.751 -26.124 37.289 1.00 0.00 N +ATOM 1114 HN LYS 74 -34.171 -25.784 38.029 1.00 0.00 +ATOM 1115 CA LYS 74 -34.777 -25.429 36.034 1.00 0.00 C +ATOM 1116 HA LYS 74 -35.392 -25.974 35.464 1.00 0.00 +ATOM 1117 CB LYS 74 -35.261 -23.973 36.139 1.00 0.00 C +ATOM 1118 HB1 LYS 74 -34.762 -23.524 36.880 1.00 0.00 +ATOM 1119 HB2 LYS 74 -35.064 -23.509 35.276 1.00 0.00 +ATOM 1120 CG LYS 74 -36.755 -23.841 36.421 1.00 0.00 C +ATOM 1121 HG1 LYS 74 -36.997 -22.871 36.399 1.00 0.00 +ATOM 1122 HG2 LYS 74 -37.257 -24.326 35.705 1.00 0.00 +ATOM 1123 CD LYS 74 -37.169 -24.413 37.774 1.00 0.00 C +ATOM 1124 HD1 LYS 74 -36.798 -25.338 37.851 1.00 0.00 +ATOM 1125 HD2 LYS 74 -36.779 -23.837 38.492 1.00 0.00 +ATOM 1126 CE LYS 74 -38.682 -24.481 37.979 1.00 0.00 C +ATOM 1127 HE1 LYS 74 -39.033 -23.589 38.263 1.00 0.00 +ATOM 1128 HE2 LYS 74 -39.133 -24.762 37.132 1.00 0.00 +ATOM 1129 NZ LYS 74 -38.984 -25.472 39.034 1.00 0.00 N +ATOM 1130 HZ1 LYS 74 -39.973 -25.521 39.172 1.00 0.00 +ATOM 1131 HZ2 LYS 74 -38.642 -26.370 38.756 1.00 0.00 +ATOM 1132 HZ3 LYS 74 -38.541 -25.196 39.887 1.00 0.00 +ATOM 1133 C LYS 74 -33.361 -25.341 35.563 1.00 0.00 C +ATOM 1134 O LYS 74 -32.434 -25.309 36.370 1.00 0.00 O +ATOM 1135 N GLU 75 -33.154 -25.318 34.231 1.00 0.00 N +ATOM 1136 HN GLU 75 -33.927 -25.396 33.601 1.00 0.00 +ATOM 1137 CA GLU 75 -31.822 -25.181 33.722 1.00 0.00 C +ATOM 1138 HA GLU 75 -31.204 -25.396 34.478 1.00 0.00 +ATOM 1139 CB GLU 75 -31.535 -26.139 32.556 1.00 0.00 C +ATOM 1140 HB1 GLU 75 -32.224 -26.000 31.844 1.00 0.00 +ATOM 1141 HB2 GLU 75 -30.628 -25.938 32.186 1.00 0.00 +ATOM 1142 CG GLU 75 -31.574 -27.603 33.004 1.00 0.00 C +ATOM 1143 HG1 GLU 75 -30.814 -27.788 33.628 1.00 0.00 +ATOM 1144 HG2 GLU 75 -32.439 -27.793 33.468 1.00 0.00 +ATOM 1145 CD GLU 75 -31.450 -28.489 31.775 1.00 0.00 C +ATOM 1146 OE1 GLU 75 -31.571 -27.948 30.644 1.00 0.00 O +ATOM 1147 OE2 GLU 75 -31.236 -29.718 31.952 1.00 0.00 O +ATOM 1148 C GLU 75 -31.698 -23.765 33.252 1.00 0.00 C +ATOM 1149 O GLU 75 -32.353 -23.349 32.297 1.00 0.00 O +ATOM 1150 N VAL 76 -30.834 -22.986 33.931 1.00 0.00 N +ATOM 1151 HN VAL 76 -30.273 -23.396 34.650 1.00 0.00 +ATOM 1152 CA VAL 76 -30.695 -21.584 33.653 1.00 0.00 C +ATOM 1153 HA VAL 76 -31.633 -21.313 33.439 1.00 0.00 +ATOM 1154 CB VAL 76 -30.180 -20.783 34.815 1.00 0.00 C +ATOM 1155 HB VAL 76 -30.101 -19.816 34.574 1.00 0.00 +ATOM 1156 CG1 VAL 76 -31.192 -20.884 35.970 1.00 0.00 C +ATOM 1157 HG11 VAL 76 -30.861 -20.354 36.751 1.00 0.00 +ATOM 1158 HG12 VAL 76 -32.075 -20.522 35.672 1.00 0.00 +ATOM 1159 HG13 VAL 76 -31.298 -21.842 36.238 1.00 0.00 +ATOM 1160 CG2 VAL 76 -28.767 -21.273 35.169 1.00 0.00 C +ATOM 1161 HG21 VAL 76 -28.415 -20.745 35.942 1.00 0.00 +ATOM 1162 HG22 VAL 76 -28.802 -22.242 35.415 1.00 0.00 +ATOM 1163 HG23 VAL 76 -28.164 -21.151 34.380 1.00 0.00 +ATOM 1164 C VAL 76 -29.757 -21.363 32.513 1.00 0.00 C +ATOM 1165 O VAL 76 -28.961 -22.231 32.157 1.00 0.00 O +ATOM 1166 N LYS 77 -29.869 -20.178 31.876 1.00 0.00 N +ATOM 1167 HN LYS 77 -30.568 -19.520 32.156 1.00 0.00 +ATOM 1168 CA LYS 77 -28.980 -19.870 30.797 1.00 0.00 C +ATOM 1169 HA LYS 77 -28.308 -20.609 30.840 1.00 0.00 +ATOM 1170 CB LYS 77 -29.666 -19.830 29.427 1.00 0.00 C +ATOM 1171 HB1 LYS 77 -30.416 -19.169 29.465 1.00 0.00 +ATOM 1172 HB2 LYS 77 -28.997 -19.536 28.744 1.00 0.00 +ATOM 1173 CG LYS 77 -30.234 -21.179 28.996 1.00 0.00 C +ATOM 1174 HG1 LYS 77 -29.477 -21.822 28.875 1.00 0.00 +ATOM 1175 HG2 LYS 77 -30.844 -21.514 29.714 1.00 0.00 +ATOM 1176 CD LYS 77 -31.016 -21.096 27.691 1.00 0.00 C +ATOM 1177 HD1 LYS 77 -31.176 -22.025 27.357 1.00 0.00 +ATOM 1178 HD2 LYS 77 -31.893 -20.652 27.875 1.00 0.00 +ATOM 1179 CE LYS 77 -30.283 -20.304 26.605 1.00 0.00 C +ATOM 1180 HE1 LYS 77 -30.772 -20.382 25.736 1.00 0.00 +ATOM 1181 HE2 LYS 77 -30.221 -19.341 26.867 1.00 0.00 +ATOM 1182 NZ LYS 77 -28.913 -20.833 26.425 1.00 0.00 N +ATOM 1183 HZ1 LYS 77 -28.444 -20.309 25.714 1.00 0.00 +ATOM 1184 HZ2 LYS 77 -28.409 -20.753 27.285 1.00 0.00 +ATOM 1185 HZ3 LYS 77 -28.960 -21.794 26.154 1.00 0.00 +ATOM 1186 C LYS 77 -28.396 -18.512 31.025 1.00 0.00 C +ATOM 1187 O LYS 77 -29.119 -17.532 31.203 1.00 0.00 O +ATOM 1188 N VAL 78 -27.053 -18.419 31.011 1.00 0.00 N +ATOM 1189 HN VAL 78 -26.498 -19.237 30.859 1.00 0.00 +ATOM 1190 CA VAL 78 -26.418 -17.151 31.214 1.00 0.00 C +ATOM 1191 HA VAL 78 -27.127 -16.567 31.610 1.00 0.00 +ATOM 1192 CB VAL 78 -25.242 -17.210 32.144 1.00 0.00 C +ATOM 1193 HB VAL 78 -24.530 -17.810 31.779 1.00 0.00 +ATOM 1194 CG1 VAL 78 -24.646 -15.797 32.257 1.00 0.00 C +ATOM 1195 HG11 VAL 78 -23.859 -15.815 32.874 1.00 0.00 +ATOM 1196 HG12 VAL 78 -24.353 -15.485 31.353 1.00 0.00 +ATOM 1197 HG13 VAL 78 -25.338 -15.171 32.618 1.00 0.00 +ATOM 1198 CG2 VAL 78 -25.686 -17.820 33.485 1.00 0.00 C +ATOM 1199 HG21 VAL 78 -24.905 -17.861 34.108 1.00 0.00 +ATOM 1200 HG22 VAL 78 -26.404 -17.252 33.888 1.00 0.00 +ATOM 1201 HG23 VAL 78 -26.038 -18.743 33.331 1.00 0.00 +ATOM 1202 C VAL 78 -25.891 -16.704 29.890 1.00 0.00 C +ATOM 1203 O VAL 78 -25.019 -17.350 29.309 1.00 0.00 O +ATOM 1204 N ASN 79 -26.398 -15.559 29.393 1.00 0.00 N +ATOM 1205 HN ASN 79 -27.066 -15.045 29.931 1.00 0.00 +ATOM 1206 CA ASN 79 -25.999 -15.062 28.107 1.00 0.00 C +ATOM 1207 HA ASN 79 -25.372 -15.753 27.747 1.00 0.00 +ATOM 1208 CB ASN 79 -27.190 -14.852 27.160 1.00 0.00 C +ATOM 1209 HB1 ASN 79 -27.863 -14.242 27.579 1.00 0.00 +ATOM 1210 HB2 ASN 79 -26.879 -14.460 26.294 1.00 0.00 +ATOM 1211 CG ASN 79 -27.812 -16.217 26.915 1.00 0.00 C +ATOM 1212 OD1 ASN 79 -27.245 -17.057 26.218 1.00 0.00 O +ATOM 1213 ND2 ASN 79 -29.008 -16.456 27.520 1.00 0.00 N +ATOM 1214 HD21 ASN 79 -29.430 -15.751 28.090 1.00 0.00 +ATOM 1215 HD22 ASN 79 -29.465 -17.337 27.395 1.00 0.00 +ATOM 1216 C ASN 79 -25.361 -13.727 28.314 1.00 0.00 C +ATOM 1217 O ASN 79 -25.435 -13.157 29.402 1.00 0.00 O +ATOM 1218 N TRP 80 -24.692 -13.197 27.270 1.00 0.00 N +ATOM 1219 HN TRP 80 -24.633 -13.686 26.400 1.00 0.00 +ATOM 1220 CA TRP 80 -24.067 -11.917 27.434 1.00 0.00 C +ATOM 1221 HA TRP 80 -23.837 -11.901 28.407 1.00 0.00 +ATOM 1222 CB TRP 80 -22.793 -11.716 26.592 1.00 0.00 C +ATOM 1223 HB1 TRP 80 -22.990 -11.969 25.645 1.00 0.00 +ATOM 1224 HB2 TRP 80 -22.530 -10.752 26.632 1.00 0.00 +ATOM 1225 CG TRP 80 -21.614 -12.538 27.056 1.00 0.00 C +ATOM 1226 CD1 TRP 80 -21.101 -13.695 26.541 1.00 0.00 C +ATOM 1227 HD1 TRP 80 -21.457 -14.173 25.738 1.00 0.00 +ATOM 1228 NE1 TRP 80 -20.024 -14.105 27.290 1.00 0.00 N +ATOM 1229 HE1 TRP 80 -19.472 -14.922 27.120 1.00 0.00 +ATOM 1230 CE2 TRP 80 -19.831 -13.202 28.315 1.00 0.00 C +ATOM 1231 CD2 TRP 80 -20.805 -12.209 28.200 1.00 0.00 C +ATOM 1232 CE3 TRP 80 -20.865 -11.163 29.078 1.00 0.00 C +ATOM 1233 HE3 TRP 80 -21.559 -10.449 28.989 1.00 0.00 +ATOM 1234 CZ3 TRP 80 -19.930 -11.132 30.091 1.00 0.00 C +ATOM 1235 HZ3 TRP 80 -19.952 -10.385 30.755 1.00 0.00 +ATOM 1236 CZ2 TRP 80 -18.898 -13.159 29.313 1.00 0.00 C +ATOM 1237 HZ2 TRP 80 -18.192 -13.863 29.392 1.00 0.00 +ATOM 1238 CH2 TRP 80 -18.965 -12.112 30.206 1.00 0.00 C +ATOM 1239 HH2 TRP 80 -18.301 -12.061 30.952 1.00 0.00 +ATOM 1240 C TRP 80 -25.046 -10.861 27.041 1.00 0.00 C +ATOM 1241 O TRP 80 -25.489 -10.797 25.894 1.00 0.00 O +ATOM 1242 N ALA 81 -25.416 -10.006 28.016 1.00 0.00 N +ATOM 1243 HN ALA 81 -25.061 -10.135 28.942 1.00 0.00 +ATOM 1244 CA ALA 81 -26.307 -8.916 27.751 1.00 0.00 C +ATOM 1245 HA ALA 81 -26.819 -9.183 26.934 1.00 0.00 +ATOM 1246 CB ALA 81 -27.279 -8.626 28.909 1.00 0.00 C +ATOM 1247 HB1 ALA 81 -27.871 -7.858 28.663 1.00 0.00 +ATOM 1248 HB2 ALA 81 -27.839 -9.436 29.085 1.00 0.00 +ATOM 1249 HB3 ALA 81 -26.759 -8.395 29.731 1.00 0.00 +ATOM 1250 C ALA 81 -25.448 -7.711 27.569 1.00 0.00 C +ATOM 1251 O ALA 81 -24.756 -7.276 28.488 1.00 0.00 O +ATOM 1252 N THR 82 -25.506 -7.119 26.364 1.00 0.00 N +ATOM 1253 HN THR 82 -26.156 -7.458 25.684 1.00 0.00 +ATOM 1254 CA THR 82 -24.659 -6.014 26.030 1.00 0.00 C +ATOM 1255 HA THR 82 -23.725 -6.335 26.186 1.00 0.00 +ATOM 1256 CB THR 82 -24.830 -5.593 24.601 1.00 0.00 C +ATOM 1257 HB THR 82 -25.785 -5.360 24.418 1.00 0.00 +ATOM 1258 OG1 THR 82 -24.555 -6.680 23.730 1.00 0.00 O +ATOM 1259 HG1 THR 82 -24.673 -6.385 22.782 1.00 0.00 +ATOM 1260 CG2 THR 82 -23.875 -4.426 24.311 1.00 0.00 C +ATOM 1261 HG21 THR 82 -23.981 -4.137 23.360 1.00 0.00 +ATOM 1262 HG22 THR 82 -24.090 -3.661 24.918 1.00 0.00 +ATOM 1263 HG23 THR 82 -22.932 -4.720 24.467 1.00 0.00 +ATOM 1264 C THR 82 -25.025 -4.855 26.894 1.00 0.00 C +ATOM 1265 O THR 82 -26.199 -4.530 27.063 1.00 0.00 O +ATOM 1266 N THR 83 -24.004 -4.187 27.462 1.00 0.00 N +ATOM 1267 HN THR 83 -23.061 -4.483 27.312 1.00 0.00 +ATOM 1268 CA THR 83 -24.282 -3.054 28.280 1.00 0.00 C +ATOM 1269 HA THR 83 -25.176 -3.199 28.704 1.00 0.00 +ATOM 1270 CB THR 83 -23.316 -2.877 29.409 1.00 0.00 C +ATOM 1271 HB THR 83 -23.223 -3.728 29.925 1.00 0.00 +ATOM 1272 OG1 THR 83 -23.847 -1.942 30.332 1.00 0.00 O +ATOM 1273 HG1 THR 83 -23.205 -1.820 31.089 1.00 0.00 +ATOM 1274 CG2 THR 83 -21.953 -2.408 28.871 1.00 0.00 C +ATOM 1275 HG21 THR 83 -21.316 -2.293 29.633 1.00 0.00 +ATOM 1276 HG22 THR 83 -21.593 -3.091 28.235 1.00 0.00 +ATOM 1277 HG23 THR 83 -22.065 -1.536 28.395 1.00 0.00 +ATOM 1278 C THR 83 -24.225 -1.887 27.352 1.00 0.00 C +ATOM 1279 O THR 83 -23.324 -1.768 26.526 1.00 0.00 O +ATOM 1280 N PRO 84 -25.215 -1.051 27.462 1.00 0.00 N +ATOM 1281 CD PRO 84 -26.483 -1.487 28.024 1.00 0.00 C +ATOM 1282 HD1 PRO 84 -26.491 -1.306 29.007 1.00 0.00 +ATOM 1283 HD2 PRO 84 -26.598 -2.468 27.865 1.00 0.00 +ATOM 1284 CA PRO 84 -25.381 0.009 26.507 1.00 0.00 C +ATOM 1285 HA PRO 84 -25.203 -0.401 25.613 1.00 0.00 +ATOM 1286 CB PRO 84 -26.799 0.536 26.709 1.00 0.00 C +ATOM 1287 HB1 PRO 84 -26.803 1.306 27.347 1.00 0.00 +ATOM 1288 HB2 PRO 84 -27.197 0.823 25.838 1.00 0.00 +ATOM 1289 CG PRO 84 -27.559 -0.669 27.293 1.00 0.00 C +ATOM 1290 HG1 PRO 84 -28.266 -0.366 27.932 1.00 0.00 +ATOM 1291 HG2 PRO 84 -27.978 -1.210 26.564 1.00 0.00 +ATOM 1292 C PRO 84 -24.365 1.087 26.538 1.00 0.00 C +ATOM 1293 O PRO 84 -24.017 1.566 27.618 1.00 0.00 O +ATOM 1294 N SER 85 -23.902 1.503 25.345 1.00 0.00 N +ATOM 1295 HN SER 85 -24.159 1.036 24.499 1.00 0.00 +ATOM 1296 CA SER 85 -23.036 2.629 25.329 1.00 0.00 C +ATOM 1297 HA SER 85 -22.581 2.638 26.220 1.00 0.00 +ATOM 1298 CB SER 85 -21.964 2.599 24.225 1.00 0.00 C +ATOM 1299 HB1 SER 85 -22.365 2.345 23.345 1.00 0.00 +ATOM 1300 HB2 SER 85 -21.512 3.487 24.142 1.00 0.00 +ATOM 1301 OG SER 85 -20.967 1.639 24.534 1.00 0.00 O +ATOM 1302 HG1 SER 85 -20.277 1.630 23.810 1.00 0.00 +ATOM 1303 C SER 85 -23.942 3.771 25.046 1.00 0.00 C +ATOM 1304 O SER 85 -23.797 4.502 24.068 1.00 0.00 O +ATOM 1305 N SER 86 -24.932 3.912 25.941 1.00 0.00 N +ATOM 1306 HN SER 86 -25.030 3.204 26.640 1.00 0.00 +ATOM 1307 CA SER 86 -25.852 4.998 25.965 1.00 0.00 C +ATOM 1308 HA SER 86 -25.700 5.594 25.177 1.00 0.00 +ATOM 1309 CB SER 86 -27.332 4.559 25.955 1.00 0.00 C +ATOM 1310 HB1 SER 86 -27.538 4.022 25.137 1.00 0.00 +ATOM 1311 HB2 SER 86 -27.549 4.022 26.770 1.00 0.00 +ATOM 1312 OG SER 86 -28.194 5.687 25.949 1.00 0.00 O +ATOM 1313 HG1 SER 86 -29.145 5.379 25.943 1.00 0.00 +ATOM 1314 C SER 86 -25.546 5.530 27.312 1.00 0.00 C +ATOM 1315 O SER 86 -25.407 4.746 28.250 1.00 0.00 O +ATOM 1316 N GLN 87 -25.436 6.860 27.453 1.00 0.00 N +ATOM 1317 HN GLN 87 -25.671 7.475 26.700 1.00 0.00 +ATOM 1318 CA GLN 87 -24.976 7.377 28.703 1.00 0.00 C +ATOM 1319 HA GLN 87 -24.932 8.368 28.573 1.00 0.00 +ATOM 1320 CB GLN 87 -25.908 7.087 29.895 1.00 0.00 C +ATOM 1321 HB1 GLN 87 -26.810 7.473 29.700 1.00 0.00 +ATOM 1322 HB2 GLN 87 -25.987 6.097 30.008 1.00 0.00 +ATOM 1323 CG GLN 87 -25.396 7.687 31.208 1.00 0.00 C +ATOM 1324 HG1 GLN 87 -24.459 7.382 31.376 1.00 0.00 +ATOM 1325 HG2 GLN 87 -25.417 8.685 31.154 1.00 0.00 +ATOM 1326 CD GLN 87 -26.294 7.220 32.345 1.00 0.00 C +ATOM 1327 OE1 GLN 87 -26.525 6.024 32.513 1.00 0.00 O +ATOM 1328 NE2 GLN 87 -26.807 8.185 33.152 1.00 0.00 N +ATOM 1329 HE21 GLN 87 -26.588 9.146 32.983 1.00 0.00 +ATOM 1330 HE22 GLN 87 -27.403 7.934 33.915 1.00 0.00 +ATOM 1331 C GLN 87 -23.649 6.724 28.952 1.00 0.00 C +ATOM 1332 O GLN 87 -23.371 6.232 30.045 1.00 0.00 O +ATOM 1333 N LYS 88 -22.814 6.666 27.894 1.00 0.00 N +ATOM 1334 HN LYS 88 -23.128 7.018 27.012 1.00 0.00 +ATOM 1335 CA LYS 88 -21.493 6.117 27.989 1.00 0.00 C +ATOM 1336 HA LYS 88 -21.319 6.040 28.971 1.00 0.00 +ATOM 1337 CB LYS 88 -21.345 4.736 27.324 1.00 0.00 C +ATOM 1338 HB1 LYS 88 -21.981 4.100 27.761 1.00 0.00 +ATOM 1339 HB2 LYS 88 -21.573 4.821 26.354 1.00 0.00 +ATOM 1340 CG LYS 88 -19.932 4.163 27.440 1.00 0.00 C +ATOM 1341 HG1 LYS 88 -19.904 3.283 26.966 1.00 0.00 +ATOM 1342 HG2 LYS 88 -19.293 4.797 27.004 1.00 0.00 +ATOM 1343 CD LYS 88 -19.499 3.952 28.893 1.00 0.00 C +ATOM 1344 HD1 LYS 88 -19.391 4.850 29.320 1.00 0.00 +ATOM 1345 HD2 LYS 88 -20.221 3.444 29.363 1.00 0.00 +ATOM 1346 CE LYS 88 -18.187 3.183 29.062 1.00 0.00 C +ATOM 1347 HE1 LYS 88 -17.505 3.524 28.415 1.00 0.00 +ATOM 1348 HE2 LYS 88 -17.845 3.291 29.995 1.00 0.00 +ATOM 1349 NZ LYS 88 -18.407 1.743 28.803 1.00 0.00 N +ATOM 1350 HZ1 LYS 88 -17.545 1.249 28.916 1.00 0.00 +ATOM 1351 HZ2 LYS 88 -19.082 1.387 29.449 1.00 0.00 +ATOM 1352 HZ3 LYS 88 -18.742 1.620 27.869 1.00 0.00 +ATOM 1353 C LYS 88 -20.583 7.065 27.269 1.00 0.00 C +ATOM 1354 O LYS 88 -20.979 7.707 26.296 1.00 0.00 O +ATOM 1355 N LEU 89 -19.330 7.209 27.739 1.00 0.00 N +ATOM 1356 HN LEU 89 -19.012 6.695 28.536 1.00 0.00 +ATOM 1357 CA LEU 89 -18.469 8.127 27.054 1.00 0.00 C +ATOM 1358 HA LEU 89 -19.055 8.478 26.323 1.00 0.00 +ATOM 1359 CB LEU 89 -17.947 9.263 27.948 1.00 0.00 C +ATOM 1360 HB1 LEU 89 -17.561 8.862 28.779 1.00 0.00 +ATOM 1361 HB2 LEU 89 -17.232 9.756 27.452 1.00 0.00 +ATOM 1362 CG LEU 89 -19.039 10.264 28.351 1.00 0.00 C +ATOM 1363 HG LEU 89 -19.687 9.802 28.956 1.00 0.00 +ATOM 1364 CD1 LEU 89 -18.459 11.432 29.164 1.00 0.00 C +ATOM 1365 HD11 LEU 89 -19.194 12.064 29.410 1.00 0.00 +ATOM 1366 HD12 LEU 89 -18.031 11.079 29.996 1.00 0.00 +ATOM 1367 HD13 LEU 89 -17.775 11.913 28.615 1.00 0.00 +ATOM 1368 CD2 LEU 89 -19.828 10.727 27.116 1.00 0.00 C +ATOM 1369 HD21 LEU 89 -20.534 11.377 27.396 1.00 0.00 +ATOM 1370 HD22 LEU 89 -19.206 11.168 26.469 1.00 0.00 +ATOM 1371 HD23 LEU 89 -20.257 9.937 26.679 1.00 0.00 +ATOM 1372 C LEU 89 -17.271 7.394 26.547 1.00 0.00 C +ATOM 1373 O LEU 89 -16.396 7.000 27.312 1.00 0.00 O +ATOM 1374 N PRO 90 -17.243 7.191 25.257 1.00 0.00 N +ATOM 1375 CD PRO 90 -18.475 6.783 24.596 1.00 0.00 C +ATOM 1376 HD1 PRO 90 -18.845 7.554 24.078 1.00 0.00 +ATOM 1377 HD2 PRO 90 -19.141 6.493 25.284 1.00 0.00 +ATOM 1378 CA PRO 90 -16.091 6.578 24.646 1.00 0.00 C +ATOM 1379 HA PRO 90 -15.658 5.956 25.299 1.00 0.00 +ATOM 1380 CB PRO 90 -16.592 5.852 23.399 1.00 0.00 C +ATOM 1381 HB1 PRO 90 -16.462 6.418 22.585 1.00 0.00 +ATOM 1382 HB2 PRO 90 -16.113 4.982 23.280 1.00 0.00 +ATOM 1383 CG PRO 90 -18.084 5.621 23.670 1.00 0.00 C +ATOM 1384 HG1 PRO 90 -18.609 5.651 22.819 1.00 0.00 +ATOM 1385 HG2 PRO 90 -18.231 4.741 24.121 1.00 0.00 +ATOM 1386 C PRO 90 -15.100 7.642 24.284 1.00 0.00 C +ATOM 1387 O PRO 90 -15.406 8.822 24.452 1.00 0.00 O +ATOM 1388 N GLN 91 -13.915 7.240 23.778 1.00 0.00 N +ATOM 1389 HN GLN 91 -13.722 6.261 23.719 1.00 0.00 +ATOM 1390 CA GLN 91 -12.921 8.172 23.321 1.00 0.00 C +ATOM 1391 HA GLN 91 -12.808 8.819 24.075 1.00 0.00 +ATOM 1392 CB GLN 91 -11.575 7.515 22.968 1.00 0.00 C +ATOM 1393 HB1 GLN 91 -11.234 7.036 23.777 1.00 0.00 +ATOM 1394 HB2 GLN 91 -11.727 6.857 22.230 1.00 0.00 +ATOM 1395 CG GLN 91 -10.503 8.509 22.512 1.00 0.00 C +ATOM 1396 HG1 GLN 91 -9.882 8.071 21.862 1.00 0.00 +ATOM 1397 HG2 GLN 91 -10.931 9.303 22.081 1.00 0.00 +ATOM 1398 CD GLN 91 -9.732 8.947 23.745 1.00 0.00 C +ATOM 1399 OE1 GLN 91 -9.615 10.136 24.039 1.00 0.00 O +ATOM 1400 NE2 GLN 91 -9.183 7.946 24.487 1.00 0.00 N +ATOM 1401 HE21 GLN 91 -9.301 6.993 24.207 1.00 0.00 +ATOM 1402 HE22 GLN 91 -8.662 8.163 25.312 1.00 0.00 +ATOM 1403 C GLN 91 -13.448 8.760 22.049 1.00 0.00 C +ATOM 1404 O GLN 91 -14.139 8.086 21.287 1.00 0.00 O +ATOM 1405 N THR 92 -13.142 10.049 21.795 1.00 0.00 N +ATOM 1406 HN THR 92 -12.556 10.554 22.429 1.00 0.00 +ATOM 1407 CA THR 92 -13.650 10.702 20.622 1.00 0.00 C +ATOM 1408 HA THR 92 -14.385 10.085 20.340 1.00 0.00 +ATOM 1409 CB THR 92 -14.193 12.073 20.870 1.00 0.00 C +ATOM 1410 HB THR 92 -14.514 12.490 20.019 1.00 0.00 +ATOM 1411 OG1 THR 92 -13.154 12.930 21.315 1.00 0.00 O +ATOM 1412 HG1 THR 92 -13.524 13.845 21.479 1.00 0.00 +ATOM 1413 CG2 THR 92 -15.301 11.971 21.930 1.00 0.00 C +ATOM 1414 HG21 THR 92 -15.676 12.881 22.109 1.00 0.00 +ATOM 1415 HG22 THR 92 -16.027 11.370 21.596 1.00 0.00 +ATOM 1416 HG23 THR 92 -14.920 11.596 22.775 1.00 0.00 +ATOM 1417 C THR 92 -12.576 10.857 19.600 1.00 0.00 C +ATOM 1418 O THR 92 -11.694 10.011 19.456 1.00 0.00 O +ATOM 1419 N GLY 93 -12.656 11.973 18.849 1.00 0.00 N +ATOM 1420 HN GLY 93 -13.435 12.589 18.968 1.00 0.00 +ATOM 1421 CA GLY 93 -11.645 12.296 17.880 1.00 0.00 C +ATOM 1422 HA1 GLY 93 -11.036 12.970 18.298 1.00 0.00 +ATOM 1423 HA2 GLY 93 -11.135 11.457 17.690 1.00 0.00 +ATOM 1424 C GLY 93 -12.210 12.851 16.590 1.00 0.00 C +ATOM 1425 O GLY 93 -11.972 14.026 16.300 1.00 0.00 O +ATOM 1426 N ASN 94 -12.927 12.040 15.774 1.00 0.00 N +ATOM 1427 HN ASN 94 -12.990 11.070 16.008 1.00 0.00 +ATOM 1428 CA ASN 94 -13.602 12.499 14.590 1.00 0.00 C +ATOM 1429 HA ASN 94 -13.407 13.473 14.471 1.00 0.00 +ATOM 1430 CB ASN 94 -13.136 11.799 13.289 1.00 0.00 C +ATOM 1431 HB1 ASN 94 -13.602 12.217 12.509 1.00 0.00 +ATOM 1432 HB2 ASN 94 -12.148 11.918 13.190 1.00 0.00 +ATOM 1433 CG ASN 94 -13.443 10.304 13.289 1.00 0.00 C +ATOM 1434 OD1 ASN 94 -13.730 9.732 12.239 1.00 0.00 O +ATOM 1435 ND2 ASN 94 -13.414 9.656 14.484 1.00 0.00 N +ATOM 1436 HD21 ASN 94 -13.197 10.159 15.321 1.00 0.00 +ATOM 1437 HD22 ASN 94 -13.609 8.676 14.526 1.00 0.00 +ATOM 1438 C ASN 94 -15.033 12.213 14.883 1.00 0.00 C +ATOM 1439 O ASN 94 -15.732 11.472 14.188 1.00 0.00 O +ATOM 1440 N HIS 95 -15.501 12.832 15.975 1.00 0.00 N +ATOM 1441 HN HIS 95 -14.901 13.437 16.498 1.00 0.00 +ATOM 1442 CA HIS 95 -16.844 12.635 16.395 1.00 0.00 C +ATOM 1443 HA HIS 95 -17.057 11.696 16.123 1.00 0.00 +ATOM 1444 CB HIS 95 -17.039 12.767 17.917 1.00 0.00 C +ATOM 1445 HB1 HIS 95 -16.422 13.467 18.275 1.00 0.00 +ATOM 1446 HB2 HIS 95 -17.985 13.025 18.113 1.00 0.00 +ATOM 1447 ND1 HIS 95 -15.817 10.550 18.168 1.00 0.00 N +ATOM 1448 CG HIS 95 -16.743 11.468 18.610 1.00 0.00 C +ATOM 1449 CE1 HIS 95 -15.876 9.493 19.016 1.00 0.00 C +ATOM 1450 HE1 HIS 95 -15.311 8.673 18.925 1.00 0.00 +ATOM 1451 NE2 HIS 95 -16.765 9.671 19.975 1.00 0.00 N +ATOM 1452 HE2 HIS 95 -16.993 9.046 20.721 1.00 0.00 +ATOM 1453 CD2 HIS 95 -17.311 10.916 19.717 1.00 0.00 C +ATOM 1454 HD2 HIS 95 -18.024 11.350 20.268 1.00 0.00 +ATOM 1455 C HIS 95 -17.698 13.604 15.669 1.00 0.00 C +ATOM 1456 O HIS 95 -17.307 14.739 15.395 1.00 0.00 O +ATOM 1457 N PHE 96 -18.899 13.134 15.305 1.00 0.00 N +ATOM 1458 HN PHE 96 -19.174 12.213 15.580 1.00 0.00 +ATOM 1459 CA PHE 96 -19.787 13.932 14.531 1.00 0.00 C +ATOM 1460 HA PHE 96 -19.384 14.845 14.467 1.00 0.00 +ATOM 1461 CB PHE 96 -19.996 13.304 13.139 1.00 0.00 C +ATOM 1462 HB1 PHE 96 -19.112 13.054 12.744 1.00 0.00 +ATOM 1463 HB2 PHE 96 -20.568 12.488 13.218 1.00 0.00 +ATOM 1464 CG PHE 96 -20.668 14.257 12.215 1.00 0.00 C +ATOM 1465 CD1 PHE 96 -22.036 14.376 12.184 1.00 0.00 C +ATOM 1466 HD1 PHE 96 -22.595 13.816 12.795 1.00 0.00 +ATOM 1467 CE1 PHE 96 -22.645 15.257 11.322 1.00 0.00 C +ATOM 1468 HE1 PHE 96 -23.642 15.339 11.314 1.00 0.00 +ATOM 1469 CZ PHE 96 -21.886 16.026 10.471 1.00 0.00 C +ATOM 1470 HZ PHE 96 -22.326 16.666 9.841 1.00 0.00 +ATOM 1471 CD2 PHE 96 -19.915 15.026 11.358 1.00 0.00 C +ATOM 1472 HD2 PHE 96 -18.919 14.942 11.364 1.00 0.00 +ATOM 1473 CE2 PHE 96 -20.519 15.908 10.494 1.00 0.00 C +ATOM 1474 HE2 PHE 96 -19.960 16.466 9.880 1.00 0.00 +ATOM 1475 C PHE 96 -21.098 13.925 15.249 1.00 0.00 C +ATOM 1476 O PHE 96 -21.507 12.899 15.791 1.00 0.00 O +ATOM 1477 N HIS 97 -21.783 15.086 15.292 1.00 0.00 N +ATOM 1478 HN HIS 97 -21.382 15.909 14.889 1.00 0.00 +ATOM 1479 CA HIS 97 -23.078 15.160 15.906 1.00 0.00 C +ATOM 1480 HA HIS 97 -23.169 14.285 16.382 1.00 0.00 +ATOM 1481 CB HIS 97 -23.251 16.333 16.899 1.00 0.00 C +ATOM 1482 HB1 HIS 97 -22.923 17.172 16.464 1.00 0.00 +ATOM 1483 HB2 HIS 97 -24.223 16.428 17.116 1.00 0.00 +ATOM 1484 ND1 HIS 97 -21.271 16.718 18.468 1.00 0.00 N +ATOM 1485 CG HIS 97 -22.511 16.180 18.201 1.00 0.00 C +ATOM 1486 CE1 HIS 97 -20.957 16.369 19.742 1.00 0.00 C +ATOM 1487 HE1 HIS 97 -20.105 16.629 20.197 1.00 0.00 +ATOM 1488 NE2 HIS 97 -21.904 15.647 20.311 1.00 0.00 N +ATOM 1489 HE2 HIS 97 -21.912 15.269 21.237 1.00 0.00 +ATOM 1490 CD2 HIS 97 -22.883 15.531 19.340 1.00 0.00 C +ATOM 1491 HD2 HIS 97 -23.745 15.038 19.458 1.00 0.00 +ATOM 1492 C HIS 97 -24.062 15.390 14.803 1.00 0.00 C +ATOM 1493 O HIS 97 -23.885 16.285 13.976 1.00 0.00 O +ATOM 1494 N VAL 98 -25.126 14.564 14.760 1.00 0.00 N +ATOM 1495 HN VAL 98 -25.207 13.832 15.436 1.00 0.00 +ATOM 1496 CA VAL 98 -26.142 14.716 13.763 1.00 0.00 C +ATOM 1497 HA VAL 98 -25.756 15.354 13.096 1.00 0.00 +ATOM 1498 CB VAL 98 -26.504 13.435 13.060 1.00 0.00 C +ATOM 1499 HB VAL 98 -26.829 12.753 13.715 1.00 0.00 +ATOM 1500 CG1 VAL 98 -27.660 13.704 12.078 1.00 0.00 C +ATOM 1501 HG11 VAL 98 -27.903 12.855 11.609 1.00 0.00 +ATOM 1502 HG12 VAL 98 -28.453 14.045 12.582 1.00 0.00 +ATOM 1503 HG13 VAL 98 -27.374 14.386 11.405 1.00 0.00 +ATOM 1504 CG2 VAL 98 -25.239 12.875 12.389 1.00 0.00 C +ATOM 1505 HG21 VAL 98 -25.462 12.022 11.916 1.00 0.00 +ATOM 1506 HG22 VAL 98 -24.889 13.540 11.729 1.00 0.00 +ATOM 1507 HG23 VAL 98 -24.543 12.698 13.085 1.00 0.00 +ATOM 1508 C VAL 98 -27.371 15.199 14.462 1.00 0.00 C +ATOM 1509 O VAL 98 -27.679 14.782 15.579 1.00 0.00 O +ATOM 1510 N PHE 99 -28.089 16.126 13.802 1.00 0.00 N +ATOM 1511 HN PHE 99 -27.754 16.429 12.910 1.00 0.00 +ATOM 1512 CA PHE 99 -29.304 16.708 14.295 1.00 0.00 C +ATOM 1513 HA PHE 99 -29.253 16.662 15.293 1.00 0.00 +ATOM 1514 CB PHE 99 -29.490 18.156 13.798 1.00 0.00 C +ATOM 1515 HB1 PHE 99 -28.895 18.770 14.316 1.00 0.00 +ATOM 1516 HB2 PHE 99 -29.261 18.212 12.826 1.00 0.00 +ATOM 1517 CG PHE 99 -30.906 18.604 13.978 1.00 0.00 C +ATOM 1518 CD1 PHE 99 -31.370 19.044 15.196 1.00 0.00 C +ATOM 1519 HD1 PHE 99 -30.755 19.060 15.985 1.00 0.00 +ATOM 1520 CE1 PHE 99 -32.674 19.462 15.338 1.00 0.00 C +ATOM 1521 HE1 PHE 99 -33.002 19.776 16.229 1.00 0.00 +ATOM 1522 CZ PHE 99 -33.527 19.450 14.260 1.00 0.00 C +ATOM 1523 HZ PHE 99 -34.474 19.754 14.366 1.00 0.00 +ATOM 1524 CD2 PHE 99 -31.769 18.602 12.903 1.00 0.00 C +ATOM 1525 HD2 PHE 99 -31.441 18.292 12.011 1.00 0.00 +ATOM 1526 CE2 PHE 99 -33.073 19.019 13.036 1.00 0.00 C +ATOM 1527 HE2 PHE 99 -33.687 19.009 12.247 1.00 0.00 +ATOM 1528 C PHE 99 -30.414 15.915 13.712 1.00 0.00 C +ATOM 1529 O PHE 99 -30.535 15.809 12.493 1.00 0.00 O +ATOM 1530 N VAL 100 -31.265 15.335 14.575 1.00 0.00 N +ATOM 1531 HN VAL 100 -31.142 15.454 15.560 1.00 0.00 +ATOM 1532 CA VAL 100 -32.348 14.547 14.075 1.00 0.00 C +ATOM 1533 HA VAL 100 -32.151 14.398 13.106 1.00 0.00 +ATOM 1534 CB VAL 100 -32.463 13.207 14.747 1.00 0.00 C +ATOM 1535 HB VAL 100 -32.635 13.315 15.726 1.00 0.00 +ATOM 1536 CG1 VAL 100 -33.669 12.451 14.161 1.00 0.00 C +ATOM 1537 HG11 VAL 100 -33.750 11.558 14.605 1.00 0.00 +ATOM 1538 HG12 VAL 100 -34.503 12.979 14.320 1.00 0.00 +ATOM 1539 HG13 VAL 100 -33.537 12.324 13.178 1.00 0.00 +ATOM 1540 CG2 VAL 100 -31.123 12.467 14.584 1.00 0.00 C +ATOM 1541 HG21 VAL 100 -31.181 11.572 15.026 1.00 0.00 +ATOM 1542 HG22 VAL 100 -30.925 12.347 13.611 1.00 0.00 +ATOM 1543 HG23 VAL 100 -30.393 13.002 15.009 1.00 0.00 +ATOM 1544 C VAL 100 -33.604 15.317 14.321 1.00 0.00 C +ATOM 1545 O VAL 100 -33.729 16.006 15.333 1.00 0.00 O +ATOM 1546 N GLY 101 -34.567 15.234 13.379 1.00 0.00 N +ATOM 1547 HN GLY 101 -34.433 14.647 12.581 1.00 0.00 +ATOM 1548 CA GLY 101 -35.785 15.986 13.518 1.00 0.00 C +ATOM 1549 HA1 GLY 101 -35.936 16.178 14.488 1.00 0.00 +ATOM 1550 HA2 GLY 101 -35.691 16.847 13.018 1.00 0.00 +ATOM 1551 C GLY 101 -36.919 15.177 12.961 1.00 0.00 C +ATOM 1552 O GLY 101 -36.716 14.097 12.413 1.00 0.00 O +ATOM 1553 N ASP 102 -38.151 15.708 13.129 1.00 0.00 N +ATOM 1554 HN ASP 102 -38.184 16.612 13.555 1.00 0.00 +ATOM 1555 CA ASP 102 -39.422 15.133 12.770 1.00 0.00 C +ATOM 1556 HA ASP 102 -39.951 15.655 13.439 1.00 0.00 +ATOM 1557 CB ASP 102 -40.130 15.534 11.448 1.00 0.00 C +ATOM 1558 HB1 ASP 102 -40.966 14.993 11.358 1.00 0.00 +ATOM 1559 HB2 ASP 102 -40.365 16.505 11.495 1.00 0.00 +ATOM 1560 CG ASP 102 -39.323 15.327 10.187 1.00 0.00 C +ATOM 1561 OD1 ASP 102 -38.459 16.202 9.927 1.00 0.00 O +ATOM 1562 OD2 ASP 102 -39.590 14.347 9.441 1.00 0.00 O +ATOM 1563 C ASP 102 -39.512 13.690 13.134 1.00 0.00 C +ATOM 1564 O ASP 102 -40.028 12.854 12.396 1.00 0.00 O +ATOM 1565 N LEU 103 -39.035 13.391 14.354 1.00 0.00 N +ATOM 1566 HN LEU 103 -38.605 14.111 14.898 1.00 0.00 +ATOM 1567 CA LEU 103 -39.125 12.072 14.894 1.00 0.00 C +ATOM 1568 HA LEU 103 -38.729 11.496 14.179 1.00 0.00 +ATOM 1569 CB LEU 103 -38.390 11.891 16.239 1.00 0.00 C +ATOM 1570 HB1 LEU 103 -38.653 12.650 16.834 1.00 0.00 +ATOM 1571 HB2 LEU 103 -38.699 11.029 16.641 1.00 0.00 +ATOM 1572 CG LEU 103 -36.851 11.854 16.184 1.00 0.00 C +ATOM 1573 HG LEU 103 -36.512 11.912 17.123 1.00 0.00 +ATOM 1574 CD1 LEU 103 -36.332 10.526 15.614 1.00 0.00 C +ATOM 1575 HD11 LEU 103 -35.332 10.540 15.594 1.00 0.00 +ATOM 1576 HD12 LEU 103 -36.644 9.771 16.191 1.00 0.00 +ATOM 1577 HD13 LEU 103 -36.682 10.402 14.686 1.00 0.00 +ATOM 1578 CD2 LEU 103 -36.283 13.068 15.448 1.00 0.00 C +ATOM 1579 HD21 LEU 103 -35.285 13.011 15.432 1.00 0.00 +ATOM 1580 HD22 LEU 103 -36.631 13.083 14.511 1.00 0.00 +ATOM 1581 HD23 LEU 103 -36.561 13.904 15.920 1.00 0.00 +ATOM 1582 C LEU 103 -40.563 11.824 15.195 1.00 0.00 C +ATOM 1583 O LEU 103 -41.269 12.706 15.685 1.00 0.00 O +ATOM 1584 N SER 104 -41.028 10.597 14.899 1.00 0.00 N +ATOM 1585 HN SER 104 -40.426 9.928 14.463 1.00 0.00 +ATOM 1586 CA SER 104 -42.379 10.246 15.205 1.00 0.00 C +ATOM 1587 HA SER 104 -42.956 10.973 14.832 1.00 0.00 +ATOM 1588 CB SER 104 -42.802 8.903 14.587 1.00 0.00 C +ATOM 1589 HB1 SER 104 -42.220 8.158 14.913 1.00 0.00 +ATOM 1590 HB2 SER 104 -43.757 8.696 14.798 1.00 0.00 +ATOM 1591 OG SER 104 -42.673 8.970 13.175 1.00 0.00 O +ATOM 1592 HG1 SER 104 -42.948 8.097 12.773 1.00 0.00 +ATOM 1593 C SER 104 -42.427 10.129 16.699 1.00 0.00 C +ATOM 1594 O SER 104 -41.420 9.809 17.325 1.00 0.00 O +ATOM 1595 N PRO 105 -43.559 10.386 17.293 1.00 0.00 N +ATOM 1596 CD PRO 105 -44.511 11.312 16.703 1.00 0.00 C +ATOM 1597 HD1 PRO 105 -45.129 10.812 16.096 1.00 0.00 +ATOM 1598 HD2 PRO 105 -44.018 12.007 16.179 1.00 0.00 +ATOM 1599 CA PRO 105 -43.656 10.361 18.730 1.00 0.00 C +ATOM 1600 HA PRO 105 -42.907 10.899 19.116 1.00 0.00 +ATOM 1601 CB PRO 105 -45.019 10.961 19.060 1.00 0.00 C +ATOM 1602 HB1 PRO 105 -45.722 10.250 19.095 1.00 0.00 +ATOM 1603 HB2 PRO 105 -44.992 11.447 19.934 1.00 0.00 +ATOM 1604 CG PRO 105 -45.267 11.932 17.890 1.00 0.00 C +ATOM 1605 HG1 PRO 105 -46.244 12.000 17.688 1.00 0.00 +ATOM 1606 HG2 PRO 105 -44.906 12.840 18.102 1.00 0.00 +ATOM 1607 C PRO 105 -43.404 9.007 19.314 1.00 0.00 C +ATOM 1608 O PRO 105 -43.032 8.922 20.483 1.00 0.00 O +ATOM 1609 N GLU 106 -43.594 7.943 18.516 1.00 0.00 N +ATOM 1610 HN GLU 106 -43.871 8.100 17.568 1.00 0.00 +ATOM 1611 CA GLU 106 -43.418 6.593 18.963 1.00 0.00 C +ATOM 1612 HA GLU 106 -44.059 6.486 19.723 1.00 0.00 +ATOM 1613 CB GLU 106 -43.669 5.571 17.841 1.00 0.00 C +ATOM 1614 HB1 GLU 106 -43.004 5.730 17.111 1.00 0.00 +ATOM 1615 HB2 GLU 106 -43.542 4.652 18.213 1.00 0.00 +ATOM 1616 CG GLU 106 -45.071 5.654 17.239 1.00 0.00 C +ATOM 1617 HG1 GLU 106 -45.286 4.808 16.751 1.00 0.00 +ATOM 1618 HG2 GLU 106 -45.747 5.804 17.961 1.00 0.00 +ATOM 1619 CD GLU 106 -45.075 6.829 16.271 1.00 0.00 C +ATOM 1620 OE1 GLU 106 -44.576 6.650 15.125 1.00 0.00 O +ATOM 1621 OE2 GLU 106 -45.568 7.919 16.661 1.00 0.00 O +ATOM 1622 C GLU 106 -41.982 6.433 19.334 1.00 0.00 C +ATOM 1623 O GLU 106 -41.633 5.689 20.250 1.00 0.00 O +ATOM 1624 N ILE 107 -41.113 7.141 18.597 1.00 0.00 N +ATOM 1625 HN ILE 107 -41.487 7.770 17.915 1.00 0.00 +ATOM 1626 CA ILE 107 -39.687 7.060 18.717 1.00 0.00 C +ATOM 1627 HA ILE 107 -39.513 6.092 18.536 1.00 0.00 +ATOM 1628 CB ILE 107 -38.965 7.938 17.733 1.00 0.00 C +ATOM 1629 HB ILE 107 -39.271 8.884 17.839 1.00 0.00 +ATOM 1630 CG2 ILE 107 -37.459 7.872 18.040 1.00 0.00 C +ATOM 1631 HG21 ILE 107 -36.961 8.451 17.394 1.00 0.00 +ATOM 1632 HG22 ILE 107 -37.294 8.195 18.972 1.00 0.00 +ATOM 1633 HG23 ILE 107 -37.142 6.927 17.953 1.00 0.00 +ATOM 1634 CG1 ILE 107 -39.314 7.537 16.292 1.00 0.00 C +ATOM 1635 HG11 ILE 107 -40.300 7.642 16.164 1.00 0.00 +ATOM 1636 HG12 ILE 107 -38.829 8.148 15.667 1.00 0.00 +ATOM 1637 CD ILE 107 -38.937 6.098 15.943 1.00 0.00 C +ATOM 1638 HD1 ILE 107 -39.192 5.907 14.995 1.00 0.00 +ATOM 1639 HD2 ILE 107 -37.951 5.975 16.054 1.00 0.00 +ATOM 1640 HD3 ILE 107 -39.422 5.470 16.551 1.00 0.00 +ATOM 1641 C ILE 107 -39.232 7.484 20.080 1.00 0.00 C +ATOM 1642 O ILE 107 -39.834 8.345 20.721 1.00 0.00 O +ATOM 1643 N THR 108 -38.162 6.824 20.570 1.00 0.00 N +ATOM 1644 HN THR 108 -37.791 6.056 20.049 1.00 0.00 +ATOM 1645 CA THR 108 -37.537 7.182 21.809 1.00 0.00 C +ATOM 1646 HA THR 108 -37.914 8.082 22.029 1.00 0.00 +ATOM 1647 CB THR 108 -37.864 6.261 22.948 1.00 0.00 C +ATOM 1648 HB THR 108 -38.851 6.235 23.108 1.00 0.00 +ATOM 1649 OG1 THR 108 -37.324 6.767 24.160 1.00 0.00 O +ATOM 1650 HG1 THR 108 -37.549 6.145 24.910 1.00 0.00 +ATOM 1651 CG2 THR 108 -37.287 4.872 22.641 1.00 0.00 C +ATOM 1652 HG21 THR 108 -37.499 4.249 23.394 1.00 0.00 +ATOM 1653 HG22 THR 108 -37.691 4.523 21.796 1.00 0.00 +ATOM 1654 HG23 THR 108 -36.295 4.939 22.533 1.00 0.00 +ATOM 1655 C THR 108 -36.046 7.173 21.594 1.00 0.00 C +ATOM 1656 O THR 108 -35.558 6.833 20.516 1.00 0.00 O +ATOM 1657 N THR 109 -35.276 7.557 22.632 1.00 0.00 N +ATOM 1658 HN THR 109 -35.713 7.782 23.503 1.00 0.00 +ATOM 1659 CA THR 109 -33.846 7.653 22.524 1.00 0.00 C +ATOM 1660 HA THR 109 -33.702 8.338 21.810 1.00 0.00 +ATOM 1661 CB THR 109 -33.190 8.084 23.802 1.00 0.00 C +ATOM 1662 HB THR 109 -33.465 7.489 24.557 1.00 0.00 +ATOM 1663 OG1 THR 109 -33.654 9.371 24.184 1.00 0.00 O +ATOM 1664 HG1 THR 109 -33.209 9.646 25.036 1.00 0.00 +ATOM 1665 CG2 THR 109 -31.666 8.103 23.588 1.00 0.00 C +ATOM 1666 HG21 THR 109 -31.214 8.389 24.433 1.00 0.00 +ATOM 1667 HG22 THR 109 -31.353 7.187 23.336 1.00 0.00 +ATOM 1668 HG23 THR 109 -31.440 8.745 22.856 1.00 0.00 +ATOM 1669 C THR 109 -33.284 6.313 22.186 1.00 0.00 C +ATOM 1670 O THR 109 -32.385 6.195 21.353 1.00 0.00 O +ATOM 1671 N GLU 110 -33.819 5.262 22.825 1.00 0.00 N +ATOM 1672 HN GLU 110 -34.587 5.411 23.447 1.00 0.00 +ATOM 1673 CA GLU 110 -33.321 3.933 22.641 1.00 0.00 C +ATOM 1674 HA GLU 110 -32.359 3.994 22.908 1.00 0.00 +ATOM 1675 CB GLU 110 -34.076 2.903 23.493 1.00 0.00 C +ATOM 1676 HB1 GLU 110 -35.041 2.914 23.231 1.00 0.00 +ATOM 1677 HB2 GLU 110 -33.693 1.996 23.317 1.00 0.00 +ATOM 1678 CG GLU 110 -33.974 3.192 24.990 1.00 0.00 C +ATOM 1679 HG1 GLU 110 -34.224 2.378 25.515 1.00 0.00 +ATOM 1680 HG2 GLU 110 -33.042 3.467 25.224 1.00 0.00 +ATOM 1681 CD GLU 110 -34.943 4.326 25.296 1.00 0.00 C +ATOM 1682 OE1 GLU 110 -36.165 4.042 25.380 1.00 0.00 O +ATOM 1683 OE2 GLU 110 -34.480 5.491 25.445 1.00 0.00 O +ATOM 1684 C GLU 110 -33.503 3.543 21.207 1.00 0.00 C +ATOM 1685 O GLU 110 -32.657 2.864 20.627 1.00 0.00 O +ATOM 1686 N ASP 111 -34.625 3.973 20.604 1.00 0.00 N +ATOM 1687 HN ASP 111 -35.238 4.574 21.117 1.00 0.00 +ATOM 1688 CA ASP 111 -34.990 3.615 19.262 1.00 0.00 C +ATOM 1689 HA ASP 111 -35.018 2.615 19.255 1.00 0.00 +ATOM 1690 CB ASP 111 -36.353 4.241 18.901 1.00 0.00 C +ATOM 1691 HB1 ASP 111 -37.012 4.047 19.628 1.00 0.00 +ATOM 1692 HB2 ASP 111 -36.249 5.230 18.800 1.00 0.00 +ATOM 1693 CG ASP 111 -36.878 3.666 17.595 1.00 0.00 C +ATOM 1694 OD1 ASP 111 -36.150 3.743 16.571 1.00 0.00 O +ATOM 1695 OD2 ASP 111 -38.031 3.156 17.601 1.00 0.00 O +ATOM 1696 C ASP 111 -33.951 4.101 18.291 1.00 0.00 C +ATOM 1697 O ASP 111 -33.491 3.343 17.440 1.00 0.00 O +ATOM 1698 N ILE 112 -33.523 5.373 18.417 1.00 0.00 N +ATOM 1699 HN ILE 112 -33.884 5.935 19.161 1.00 0.00 +ATOM 1700 CA ILE 112 -32.561 5.947 17.512 1.00 0.00 C +ATOM 1701 HA ILE 112 -32.973 5.833 16.608 1.00 0.00 +ATOM 1702 CB ILE 112 -32.314 7.411 17.755 1.00 0.00 C +ATOM 1703 HB ILE 112 -32.107 7.558 18.722 1.00 0.00 +ATOM 1704 CG2 ILE 112 -31.095 7.854 16.931 1.00 0.00 C +ATOM 1705 HG21 ILE 112 -30.923 8.827 17.086 1.00 0.00 +ATOM 1706 HG22 ILE 112 -30.294 7.325 17.211 1.00 0.00 +ATOM 1707 HG23 ILE 112 -31.275 7.698 15.960 1.00 0.00 +ATOM 1708 CG1 ILE 112 -33.581 8.222 17.442 1.00 0.00 C +ATOM 1709 HG11 ILE 112 -33.785 8.134 16.467 1.00 0.00 +ATOM 1710 HG12 ILE 112 -34.340 7.849 17.976 1.00 0.00 +ATOM 1711 CD ILE 112 -33.440 9.706 17.774 1.00 0.00 C +ATOM 1712 HD1 ILE 112 -34.292 10.180 17.550 1.00 0.00 +ATOM 1713 HD2 ILE 112 -33.246 9.812 18.749 1.00 0.00 +ATOM 1714 HD3 ILE 112 -32.690 10.097 17.240 1.00 0.00 +ATOM 1715 C ILE 112 -31.267 5.217 17.633 1.00 0.00 C +ATOM 1716 O ILE 112 -30.591 4.969 16.634 1.00 0.00 O +ATOM 1717 N LYS 113 -30.885 4.850 18.867 1.00 0.00 N +ATOM 1718 HN LYS 113 -31.476 5.029 19.654 1.00 0.00 +ATOM 1719 CA LYS 113 -29.626 4.202 19.042 1.00 0.00 C +ATOM 1720 HA LYS 113 -28.944 4.852 18.707 1.00 0.00 +ATOM 1721 CB LYS 113 -29.343 3.870 20.515 1.00 0.00 C +ATOM 1722 HB1 LYS 113 -29.604 4.655 21.076 1.00 0.00 +ATOM 1723 HB2 LYS 113 -29.893 3.076 20.776 1.00 0.00 +ATOM 1724 CG LYS 113 -27.877 3.550 20.788 1.00 0.00 C +ATOM 1725 HG1 LYS 113 -27.701 2.603 20.520 1.00 0.00 +ATOM 1726 HG2 LYS 113 -27.308 4.163 20.239 1.00 0.00 +ATOM 1727 CD LYS 113 -27.504 3.721 22.261 1.00 0.00 C +ATOM 1728 HD1 LYS 113 -28.262 3.387 22.821 1.00 0.00 +ATOM 1729 HD2 LYS 113 -26.687 3.175 22.447 1.00 0.00 +ATOM 1730 CE LYS 113 -27.216 5.175 22.647 1.00 0.00 C +ATOM 1731 HE1 LYS 113 -26.806 5.211 23.558 1.00 0.00 +ATOM 1732 HE2 LYS 113 -26.591 5.586 21.984 1.00 0.00 +ATOM 1733 NZ LYS 113 -28.468 5.964 22.664 1.00 0.00 N +ATOM 1734 HZ1 LYS 113 -28.263 6.909 22.917 1.00 0.00 +ATOM 1735 HZ2 LYS 113 -28.886 5.946 21.756 1.00 0.00 +ATOM 1736 HZ3 LYS 113 -29.101 5.570 23.330 1.00 0.00 +ATOM 1737 C LYS 113 -29.633 2.949 18.227 1.00 0.00 C +ATOM 1738 O LYS 113 -28.682 2.677 17.498 1.00 0.00 O +ATOM 1739 N ALA 114 -30.721 2.160 18.315 1.00 0.00 N +ATOM 1740 HN ALA 114 -31.478 2.436 18.907 1.00 0.00 +ATOM 1741 CA ALA 114 -30.817 0.933 17.578 1.00 0.00 C +ATOM 1742 HA ALA 114 -29.959 0.481 17.822 1.00 0.00 +ATOM 1743 CB ALA 114 -32.054 0.111 17.971 1.00 0.00 C +ATOM 1744 HB1 ALA 114 -32.079 -0.732 17.433 1.00 0.00 +ATOM 1745 HB2 ALA 114 -32.008 -0.115 18.944 1.00 0.00 +ATOM 1746 HB3 ALA 114 -32.880 0.645 17.791 1.00 0.00 +ATOM 1747 C ALA 114 -30.911 1.178 16.097 1.00 0.00 C +ATOM 1748 O ALA 114 -30.231 0.517 15.313 1.00 0.00 O +ATOM 1749 N ALA 115 -31.756 2.140 15.671 1.00 0.00 N +ATOM 1750 HN ALA 115 -32.209 2.732 16.338 1.00 0.00 +ATOM 1751 CA ALA 115 -32.012 2.323 14.264 1.00 0.00 C +ATOM 1752 HA ALA 115 -32.283 1.398 13.997 1.00 0.00 +ATOM 1753 CB ALA 115 -33.112 3.363 13.981 1.00 0.00 C +ATOM 1754 HB1 ALA 115 -33.245 3.447 12.993 1.00 0.00 +ATOM 1755 HB2 ALA 115 -33.967 3.069 14.409 1.00 0.00 +ATOM 1756 HB3 ALA 115 -32.838 4.248 14.357 1.00 0.00 +ATOM 1757 C ALA 115 -30.789 2.759 13.514 1.00 0.00 C +ATOM 1758 O ALA 115 -30.505 2.261 12.427 1.00 0.00 O +ATOM 1759 N PHE 116 -30.050 3.727 14.075 1.00 0.00 N +ATOM 1760 HN PHE 116 -30.334 4.062 14.973 1.00 0.00 +ATOM 1761 CA PHE 116 -28.883 4.320 13.486 1.00 0.00 C +ATOM 1762 HA PHE 116 -29.158 4.432 12.531 1.00 0.00 +ATOM 1763 CB PHE 116 -28.545 5.669 14.136 1.00 0.00 C +ATOM 1764 HB1 PHE 116 -28.531 5.591 15.133 1.00 0.00 +ATOM 1765 HB2 PHE 116 -27.661 6.008 13.815 1.00 0.00 +ATOM 1766 CG PHE 116 -29.633 6.603 13.713 1.00 0.00 C +ATOM 1767 CD1 PHE 116 -30.885 6.540 14.285 1.00 0.00 C +ATOM 1768 HD1 PHE 116 -31.069 5.861 14.996 1.00 0.00 +ATOM 1769 CE1 PHE 116 -31.887 7.399 13.891 1.00 0.00 C +ATOM 1770 HE1 PHE 116 -32.793 7.338 14.311 1.00 0.00 +ATOM 1771 CZ PHE 116 -31.641 8.339 12.922 1.00 0.00 C +ATOM 1772 HZ PHE 116 -32.364 8.967 12.635 1.00 0.00 +ATOM 1773 CD2 PHE 116 -29.399 7.548 12.744 1.00 0.00 C +ATOM 1774 HD2 PHE 116 -28.495 7.609 12.321 1.00 0.00 +ATOM 1775 CE2 PHE 116 -30.393 8.411 12.349 1.00 0.00 C +ATOM 1776 HE2 PHE 116 -30.208 9.094 11.642 1.00 0.00 +ATOM 1777 C PHE 116 -27.681 3.412 13.543 1.00 0.00 C +ATOM 1778 O PHE 116 -26.773 3.524 12.720 1.00 0.00 O +ATOM 1779 N ALA 117 -27.638 2.489 14.520 1.00 0.00 N +ATOM 1780 HN ALA 117 -28.457 2.332 15.072 1.00 0.00 +ATOM 1781 CA ALA 117 -26.455 1.719 14.799 1.00 0.00 C +ATOM 1782 HA ALA 117 -25.823 2.452 15.051 1.00 0.00 +ATOM 1783 CB ALA 117 -26.670 0.686 15.920 1.00 0.00 C +ATOM 1784 HB1 ALA 117 -25.821 0.180 16.074 1.00 0.00 +ATOM 1785 HB2 ALA 117 -26.934 1.157 16.761 1.00 0.00 +ATOM 1786 HB3 ALA 117 -27.394 0.050 15.653 1.00 0.00 +ATOM 1787 C ALA 117 -25.937 0.961 13.606 1.00 0.00 C +ATOM 1788 O ALA 117 -24.724 0.966 13.399 1.00 0.00 O +ATOM 1789 N PRO 118 -26.724 0.300 12.808 1.00 0.00 N +ATOM 1790 CD PRO 118 -27.912 -0.369 13.296 1.00 0.00 C +ATOM 1791 HD1 PRO 118 -28.553 0.300 13.673 1.00 0.00 +ATOM 1792 HD2 PRO 118 -27.667 -1.031 14.004 1.00 0.00 +ATOM 1793 CA PRO 118 -26.129 -0.417 11.710 1.00 0.00 C +ATOM 1794 HA PRO 118 -25.331 -0.919 12.043 1.00 0.00 +ATOM 1795 CB PRO 118 -27.206 -1.380 11.197 1.00 0.00 C +ATOM 1796 HB1 PRO 118 -27.378 -1.227 10.224 1.00 0.00 +ATOM 1797 HB2 PRO 118 -26.925 -2.329 11.341 1.00 0.00 +ATOM 1798 CG PRO 118 -28.461 -1.049 12.033 1.00 0.00 C +ATOM 1799 HG1 PRO 118 -29.067 -0.429 11.534 1.00 0.00 +ATOM 1800 HG2 PRO 118 -28.960 -1.883 12.270 1.00 0.00 +ATOM 1801 C PRO 118 -25.496 0.482 10.691 1.00 0.00 C +ATOM 1802 O PRO 118 -24.529 0.063 10.055 1.00 0.00 O +ATOM 1803 N PHE 119 -26.055 1.690 10.479 1.00 0.00 N +ATOM 1804 HN PHE 119 -26.886 1.936 10.977 1.00 0.00 +ATOM 1805 CA PHE 119 -25.488 2.632 9.557 1.00 0.00 C +ATOM 1806 HA PHE 119 -25.324 2.066 8.749 1.00 0.00 +ATOM 1807 CB PHE 119 -26.416 3.823 9.273 1.00 0.00 C +ATOM 1808 HB1 PHE 119 -26.625 4.311 10.120 1.00 0.00 +ATOM 1809 HB2 PHE 119 -25.987 4.451 8.624 1.00 0.00 +ATOM 1810 CG PHE 119 -27.680 3.305 8.686 1.00 0.00 C +ATOM 1811 CD1 PHE 119 -27.695 2.796 7.410 1.00 0.00 C +ATOM 1812 HD1 PHE 119 -26.849 2.769 6.877 1.00 0.00 +ATOM 1813 CE1 PHE 119 -28.862 2.323 6.859 1.00 0.00 C +ATOM 1814 HE1 PHE 119 -28.860 1.949 5.931 1.00 0.00 +ATOM 1815 CZ PHE 119 -30.031 2.362 7.578 1.00 0.00 C +ATOM 1816 HZ PHE 119 -30.880 2.018 7.178 1.00 0.00 +ATOM 1817 CD2 PHE 119 -28.856 3.350 9.399 1.00 0.00 C +ATOM 1818 HD2 PHE 119 -28.860 3.730 10.324 1.00 0.00 +ATOM 1819 CE2 PHE 119 -30.026 2.878 8.853 1.00 0.00 C +ATOM 1820 HE2 PHE 119 -30.874 2.910 9.383 1.00 0.00 +ATOM 1821 C PHE 119 -24.238 3.229 10.126 1.00 0.00 C +ATOM 1822 O PHE 119 -23.190 3.250 9.481 1.00 0.00 O +ATOM 1823 N GLY 120 -24.314 3.720 11.379 1.00 0.00 N +ATOM 1824 HN GLY 120 -25.151 3.617 11.917 1.00 0.00 +ATOM 1825 CA GLY 120 -23.173 4.392 11.926 1.00 0.00 C +ATOM 1826 HA1 GLY 120 -22.367 4.150 11.386 1.00 0.00 +ATOM 1827 HA2 GLY 120 -23.325 5.379 11.875 1.00 0.00 +ATOM 1828 C GLY 120 -22.995 3.968 13.342 1.00 0.00 C +ATOM 1829 O GLY 120 -23.954 3.673 14.054 1.00 0.00 O +ATOM 1830 N ARG 121 -21.731 3.969 13.798 1.00 0.00 N +ATOM 1831 HN ARG 121 -20.985 4.269 13.204 1.00 0.00 +ATOM 1832 CA ARG 121 -21.455 3.542 15.131 1.00 0.00 C +ATOM 1833 HA ARG 121 -22.123 2.828 15.343 1.00 0.00 +ATOM 1834 CB ARG 121 -20.045 2.960 15.269 1.00 0.00 C +ATOM 1835 HB1 ARG 121 -19.370 3.650 15.007 1.00 0.00 +ATOM 1836 HB2 ARG 121 -19.888 2.683 16.217 1.00 0.00 +ATOM 1837 CG ARG 121 -19.913 1.744 14.354 1.00 0.00 C +ATOM 1838 HG1 ARG 121 -19.873 2.054 13.404 1.00 0.00 +ATOM 1839 HG2 ARG 121 -19.070 1.256 14.581 1.00 0.00 +ATOM 1840 CD ARG 121 -21.100 0.793 14.519 1.00 0.00 C +ATOM 1841 HD1 ARG 121 -21.034 0.307 15.390 1.00 0.00 +ATOM 1842 HD2 ARG 121 -21.959 1.304 14.487 1.00 0.00 +ATOM 1843 NE ARG 121 -21.079 -0.196 13.406 1.00 0.00 N +ATOM 1844 HE ARG 121 -20.575 -1.053 13.511 1.00 0.00 +ATOM 1845 CZ ARG 121 -21.745 0.062 12.242 1.00 0.00 C +ATOM 1846 NH1 ARG 121 -22.344 1.272 12.044 1.00 0.00 N +ATOM 1847 HH11 ARG 121 -22.297 1.975 12.753 1.00 0.00 +ATOM 1848 HH12 ARG 121 -22.830 1.455 11.190 1.00 0.00 +ATOM 1849 NH2 ARG 121 -21.806 -0.890 11.266 1.00 0.00 N +ATOM 1850 HH21 ARG 121 -21.363 -1.776 11.403 1.00 0.00 +ATOM 1851 HH22 ARG 121 -22.294 -0.702 10.413 1.00 0.00 +ATOM 1852 C ARG 121 -21.632 4.720 16.022 1.00 0.00 C +ATOM 1853 O ARG 121 -21.005 5.764 15.844 1.00 0.00 O +ATOM 1854 N ILE 122 -22.507 4.556 17.031 1.00 0.00 N +ATOM 1855 HN ILE 122 -22.899 3.653 17.205 1.00 0.00 +ATOM 1856 CA ILE 122 -22.881 5.659 17.856 1.00 0.00 C +ATOM 1857 HA ILE 122 -22.572 6.456 17.336 1.00 0.00 +ATOM 1858 CB ILE 122 -24.358 5.708 18.109 1.00 0.00 C +ATOM 1859 HB ILE 122 -24.651 4.871 18.571 1.00 0.00 +ATOM 1860 CG2 ILE 122 -24.634 6.915 19.019 1.00 0.00 C +ATOM 1861 HG21 ILE 122 -25.615 6.974 19.206 1.00 0.00 +ATOM 1862 HG22 ILE 122 -24.137 6.804 19.879 1.00 0.00 +ATOM 1863 HG23 ILE 122 -24.330 7.752 18.564 1.00 0.00 +ATOM 1864 CG1 ILE 122 -25.137 5.757 16.785 1.00 0.00 C +ATOM 1865 HG11 ILE 122 -25.060 6.677 16.402 1.00 0.00 +ATOM 1866 HG12 ILE 122 -24.734 5.097 16.151 1.00 0.00 +ATOM 1867 CD ILE 122 -26.619 5.425 16.949 1.00 0.00 C +ATOM 1868 HD1 ILE 122 -27.072 5.473 16.059 1.00 0.00 +ATOM 1869 HD2 ILE 122 -26.715 4.502 17.323 1.00 0.00 +ATOM 1870 HD3 ILE 122 -27.041 6.083 17.573 1.00 0.00 +ATOM 1871 C ILE 122 -22.233 5.540 19.193 1.00 0.00 C +ATOM 1872 O ILE 122 -22.195 4.472 19.802 1.00 0.00 O +ATOM 1873 N SER 123 -21.618 6.648 19.640 1.00 0.00 N +ATOM 1874 HN SER 123 -21.526 7.438 19.034 1.00 0.00 +ATOM 1875 CA SER 123 -21.094 6.716 20.967 1.00 0.00 C +ATOM 1876 HA SER 123 -20.603 5.858 21.115 1.00 0.00 +ATOM 1877 CB SER 123 -20.140 7.903 21.160 1.00 0.00 C +ATOM 1878 HB1 SER 123 -20.591 8.766 20.933 1.00 0.00 +ATOM 1879 HB2 SER 123 -19.800 7.941 22.100 1.00 0.00 +ATOM 1880 OG SER 123 -19.022 7.755 20.297 1.00 0.00 O +ATOM 1881 HG1 SER 123 -18.400 8.528 20.422 1.00 0.00 +ATOM 1882 C SER 123 -22.268 6.897 21.877 1.00 0.00 C +ATOM 1883 O SER 123 -22.350 6.268 22.929 1.00 0.00 O +ATOM 1884 N ASP 124 -23.207 7.787 21.478 1.00 0.00 N +ATOM 1885 HN ASP 124 -23.067 8.283 20.621 1.00 0.00 +ATOM 1886 CA ASP 124 -24.398 8.044 22.242 1.00 0.00 C +ATOM 1887 HA ASP 124 -24.660 7.140 22.581 1.00 0.00 +ATOM 1888 CB ASP 124 -24.194 9.018 23.419 1.00 0.00 C +ATOM 1889 HB1 ASP 124 -23.454 8.694 24.009 1.00 0.00 +ATOM 1890 HB2 ASP 124 -23.971 9.930 23.075 1.00 0.00 +ATOM 1891 CG ASP 124 -25.495 9.072 24.211 1.00 0.00 C +ATOM 1892 OD1 ASP 124 -26.131 7.998 24.379 1.00 0.00 O +ATOM 1893 OD2 ASP 124 -25.880 10.193 24.640 1.00 0.00 O +ATOM 1894 C ASP 124 -25.402 8.678 21.323 1.00 0.00 C +ATOM 1895 O ASP 124 -25.036 9.332 20.352 1.00 0.00 O +ATOM 1896 N ALA 125 -26.707 8.459 21.591 1.00 0.00 N +ATOM 1897 HN ALA 125 -26.956 7.854 22.347 1.00 0.00 +ATOM 1898 CA ALA 125 -27.745 9.075 20.816 1.00 0.00 C +ATOM 1899 HA ALA 125 -27.299 9.811 20.306 1.00 0.00 +ATOM 1900 CB ALA 125 -28.447 8.116 19.839 1.00 0.00 C +ATOM 1901 HB1 ALA 125 -29.155 8.612 19.336 1.00 0.00 +ATOM 1902 HB2 ALA 125 -27.777 7.747 19.195 1.00 0.00 +ATOM 1903 HB3 ALA 125 -28.866 7.366 20.351 1.00 0.00 +ATOM 1904 C ALA 125 -28.767 9.518 21.802 1.00 0.00 C +ATOM 1905 O ALA 125 -29.016 8.842 22.799 1.00 0.00 O +ATOM 1906 N ARG 126 -29.383 10.685 21.554 1.00 0.00 N +ATOM 1907 HN ARG 126 -29.181 11.207 20.725 1.00 0.00 +ATOM 1908 CA ARG 126 -30.332 11.159 22.505 1.00 0.00 C +ATOM 1909 HA ARG 126 -30.633 10.340 22.993 1.00 0.00 +ATOM 1910 CB ARG 126 -29.704 12.174 23.469 1.00 0.00 C +ATOM 1911 HB1 ARG 126 -30.420 12.555 24.054 1.00 0.00 +ATOM 1912 HB2 ARG 126 -29.023 11.709 24.035 1.00 0.00 +ATOM 1913 CG ARG 126 -29.024 13.314 22.718 1.00 0.00 C +ATOM 1914 HG1 ARG 126 -28.625 12.946 21.878 1.00 0.00 +ATOM 1915 HG2 ARG 126 -29.716 13.998 22.487 1.00 0.00 +ATOM 1916 CD ARG 126 -27.918 13.994 23.524 1.00 0.00 C +ATOM 1917 HD1 ARG 126 -28.261 14.826 23.961 1.00 0.00 +ATOM 1918 HD2 ARG 126 -27.559 13.374 24.222 1.00 0.00 +ATOM 1919 NE ARG 126 -26.837 14.344 22.563 1.00 0.00 N +ATOM 1920 HE ARG 126 -26.935 15.155 21.986 1.00 0.00 +ATOM 1921 CZ ARG 126 -25.714 13.576 22.456 1.00 0.00 C +ATOM 1922 NH1 ARG 126 -25.529 12.486 23.256 1.00 0.00 N +ATOM 1923 HH11 ARG 126 -26.222 12.240 23.933 1.00 0.00 +ATOM 1924 HH12 ARG 126 -24.700 11.934 23.165 1.00 0.00 +ATOM 1925 NH2 ARG 126 -24.757 13.921 21.549 1.00 0.00 N +ATOM 1926 HH21 ARG 126 -24.883 14.728 20.972 1.00 0.00 +ATOM 1927 HH22 ARG 126 -23.929 13.367 21.460 1.00 0.00 +ATOM 1928 C ARG 126 -31.480 11.785 21.796 1.00 0.00 C +ATOM 1929 O ARG 126 -31.326 12.538 20.834 1.00 0.00 O +ATOM 1930 N VAL 127 -32.684 11.457 22.285 1.00 0.00 N +ATOM 1931 HN VAL 127 -32.732 10.813 23.048 1.00 0.00 +ATOM 1932 CA VAL 127 -33.896 11.988 21.762 1.00 0.00 C +ATOM 1933 HA VAL 127 -33.671 12.439 20.898 1.00 0.00 +ATOM 1934 CB VAL 127 -34.946 10.934 21.543 1.00 0.00 C +ATOM 1935 HB VAL 127 -35.146 10.454 22.397 1.00 0.00 +ATOM 1936 CG1 VAL 127 -36.258 11.599 21.099 1.00 0.00 C +ATOM 1937 HG11 VAL 127 -36.955 10.897 20.954 1.00 0.00 +ATOM 1938 HG12 VAL 127 -36.567 12.234 21.808 1.00 0.00 +ATOM 1939 HG13 VAL 127 -36.106 12.099 20.247 1.00 0.00 +ATOM 1940 CG2 VAL 127 -34.399 9.898 20.552 1.00 0.00 C +ATOM 1941 HG21 VAL 127 -35.087 9.190 20.396 1.00 0.00 +ATOM 1942 HG22 VAL 127 -34.182 10.348 19.686 1.00 0.00 +ATOM 1943 HG23 VAL 127 -33.571 9.481 20.928 1.00 0.00 +ATOM 1944 C VAL 127 -34.419 12.848 22.847 1.00 0.00 C +ATOM 1945 O VAL 127 -34.402 12.470 24.018 1.00 0.00 O +ATOM 1946 N VAL 128 -34.871 14.055 22.490 1.00 0.00 N +ATOM 1947 HN VAL 128 -34.807 14.384 21.548 1.00 0.00 +ATOM 1948 CA VAL 128 -35.447 14.844 23.522 1.00 0.00 C +ATOM 1949 HA VAL 128 -34.939 14.689 24.369 1.00 0.00 +ATOM 1950 CB VAL 128 -35.395 16.312 23.219 1.00 0.00 C +ATOM 1951 HB VAL 128 -35.919 16.526 22.395 1.00 0.00 +ATOM 1952 CG1 VAL 128 -36.052 17.077 24.379 1.00 0.00 C +ATOM 1953 HG11 VAL 128 -36.024 18.058 24.189 1.00 0.00 +ATOM 1954 HG12 VAL 128 -37.003 16.783 24.476 1.00 0.00 +ATOM 1955 HG13 VAL 128 -35.557 16.887 25.227 1.00 0.00 +ATOM 1956 CG2 VAL 128 -33.932 16.707 22.942 1.00 0.00 C +ATOM 1957 HG21 VAL 128 -33.884 17.685 22.738 1.00 0.00 +ATOM 1958 HG22 VAL 128 -33.374 16.506 23.747 1.00 0.00 +ATOM 1959 HG23 VAL 128 -33.588 16.186 22.160 1.00 0.00 +ATOM 1960 C VAL 128 -36.869 14.407 23.534 1.00 0.00 C +ATOM 1961 O VAL 128 -37.653 14.783 22.664 1.00 0.00 O +ATOM 1962 N LYS 129 -37.233 13.565 24.520 1.00 0.00 N +ATOM 1963 HN LYS 129 -36.578 13.273 25.217 1.00 0.00 +ATOM 1964 CA LYS 129 -38.584 13.101 24.540 1.00 0.00 C +ATOM 1965 HA LYS 129 -38.982 13.598 23.769 1.00 0.00 +ATOM 1966 CB LYS 129 -38.775 11.582 24.317 1.00 0.00 C +ATOM 1967 HB1 LYS 129 -39.735 11.435 24.080 1.00 0.00 +ATOM 1968 HB2 LYS 129 -38.197 11.320 23.545 1.00 0.00 +ATOM 1969 CG LYS 129 -38.445 10.622 25.472 1.00 0.00 C +ATOM 1970 HG1 LYS 129 -38.850 11.003 26.303 1.00 0.00 +ATOM 1971 HG2 LYS 129 -38.876 9.744 25.264 1.00 0.00 +ATOM 1972 CD LYS 129 -36.968 10.344 25.772 1.00 0.00 C +ATOM 1973 HD1 LYS 129 -36.487 10.190 24.909 1.00 0.00 +ATOM 1974 HD2 LYS 129 -36.577 11.140 26.234 1.00 0.00 +ATOM 1975 CE LYS 129 -36.791 9.109 26.669 1.00 0.00 C +ATOM 1976 HE1 LYS 129 -36.995 9.348 27.618 1.00 0.00 +ATOM 1977 HE2 LYS 129 -37.407 8.381 26.368 1.00 0.00 +ATOM 1978 NZ LYS 129 -35.404 8.596 26.609 1.00 0.00 N +ATOM 1979 HZ1 LYS 129 -35.319 7.795 27.201 1.00 0.00 +ATOM 1980 HZ2 LYS 129 -35.184 8.340 25.668 1.00 0.00 +ATOM 1981 HZ3 LYS 129 -34.772 9.307 26.918 1.00 0.00 +ATOM 1982 C LYS 129 -39.193 13.468 25.849 1.00 0.00 C +ATOM 1983 O LYS 129 -38.495 13.845 26.790 1.00 0.00 O +ATOM 1984 N ASP 130 -40.538 13.392 25.918 1.00 0.00 N +ATOM 1985 HN ASP 130 -41.052 13.089 25.115 1.00 0.00 +ATOM 1986 CA ASP 130 -41.248 13.735 27.115 1.00 0.00 C +ATOM 1987 HA ASP 130 -40.952 14.673 27.298 1.00 0.00 +ATOM 1988 CB ASP 130 -42.779 13.665 26.983 1.00 0.00 C +ATOM 1989 HB1 ASP 130 -43.092 14.257 26.240 1.00 0.00 +ATOM 1990 HB2 ASP 130 -43.071 12.725 26.806 1.00 0.00 +ATOM 1991 CG ASP 130 -43.353 14.146 28.307 1.00 0.00 C +ATOM 1992 OD1 ASP 130 -42.642 14.929 28.992 1.00 0.00 O +ATOM 1993 OD2 ASP 130 -44.490 13.733 28.658 1.00 0.00 O +ATOM 1994 C ASP 130 -40.866 12.756 28.172 1.00 0.00 C +ATOM 1995 O ASP 130 -40.767 11.557 27.919 1.00 0.00 O +ATOM 1996 N MET 131 -40.624 13.262 29.396 1.00 0.00 N +ATOM 1997 HN MET 131 -40.731 14.244 29.552 1.00 0.00 +ATOM 1998 CA MET 131 -40.216 12.419 30.478 1.00 0.00 C +ATOM 1999 HA MET 131 -39.414 11.948 30.111 1.00 0.00 +ATOM 2000 CB MET 131 -39.881 13.219 31.749 1.00 0.00 C +ATOM 2001 HB1 MET 131 -39.229 13.939 31.511 1.00 0.00 +ATOM 2002 HB2 MET 131 -40.722 13.633 32.097 1.00 0.00 +ATOM 2003 CG MET 131 -39.270 12.366 32.861 1.00 0.00 C +ATOM 2004 HG1 MET 131 -39.341 12.938 33.678 1.00 0.00 +ATOM 2005 HG2 MET 131 -39.891 11.587 32.944 1.00 0.00 +ATOM 2006 SD MET 131 -37.560 11.843 32.542 1.00 0.00 S +ATOM 2007 CE MET 131 -37.590 10.492 33.755 1.00 0.00 C +ATOM 2008 HE1 MET 131 -36.704 10.029 33.760 1.00 0.00 +ATOM 2009 HE2 MET 131 -37.777 10.864 34.664 1.00 0.00 +ATOM 2010 HE3 MET 131 -38.306 9.839 33.509 1.00 0.00 +ATOM 2011 C MET 131 -41.318 11.466 30.827 1.00 0.00 C +ATOM 2012 O MET 131 -41.076 10.277 31.034 1.00 0.00 O +ATOM 2013 N ALA 132 -42.565 11.968 30.934 1.00 0.00 N +ATOM 2014 HN ALA 132 -42.742 12.927 30.713 1.00 0.00 +ATOM 2015 CA ALA 132 -43.639 11.116 31.367 1.00 0.00 C +ATOM 2016 HA ALA 132 -43.229 10.697 32.177 1.00 0.00 +ATOM 2017 CB ALA 132 -44.927 11.903 31.661 1.00 0.00 C +ATOM 2018 HB1 ALA 132 -45.643 11.271 31.958 1.00 0.00 +ATOM 2019 HB2 ALA 132 -44.752 12.571 32.384 1.00 0.00 +ATOM 2020 HB3 ALA 132 -45.224 12.378 30.833 1.00 0.00 +ATOM 2021 C ALA 132 -44.005 10.070 30.361 1.00 0.00 C +ATOM 2022 O ALA 132 -44.032 8.880 30.675 1.00 0.00 O +ATOM 2023 N THR 133 -44.307 10.505 29.120 1.00 0.00 N +ATOM 2024 HN THR 133 -44.212 11.482 28.928 1.00 0.00 +ATOM 2025 CA THR 133 -44.757 9.647 28.057 1.00 0.00 C +ATOM 2026 HA THR 133 -45.405 9.041 28.518 1.00 0.00 +ATOM 2027 CB THR 133 -45.451 10.404 26.959 1.00 0.00 C +ATOM 2028 HB THR 133 -45.684 9.790 26.205 1.00 0.00 +ATOM 2029 OG1 THR 133 -44.573 11.353 26.374 1.00 0.00 O +ATOM 2030 HG1 THR 133 -45.051 11.846 25.647 1.00 0.00 +ATOM 2031 CG2 THR 133 -46.681 11.114 27.554 1.00 0.00 C +ATOM 2032 HG21 THR 133 -47.153 11.622 26.834 1.00 0.00 +ATOM 2033 HG22 THR 133 -47.302 10.434 27.944 1.00 0.00 +ATOM 2034 HG23 THR 133 -46.387 11.747 28.270 1.00 0.00 +ATOM 2035 C THR 133 -43.628 8.860 27.463 1.00 0.00 C +ATOM 2036 O THR 133 -43.807 7.718 27.038 1.00 0.00 O +ATOM 2037 N GLY 134 -42.427 9.461 27.383 1.00 0.00 N +ATOM 2038 HN GLY 134 -42.307 10.389 27.736 1.00 0.00 +ATOM 2039 CA GLY 134 -41.320 8.769 26.791 1.00 0.00 C +ATOM 2040 HA1 GLY 134 -40.465 9.186 27.100 1.00 0.00 +ATOM 2041 HA2 GLY 134 -41.342 7.809 27.070 1.00 0.00 +ATOM 2042 C GLY 134 -41.471 8.898 25.310 1.00 0.00 C +ATOM 2043 O GLY 134 -40.815 8.196 24.543 1.00 0.00 O +ATOM 2044 N LYS 135 -42.357 9.812 24.872 1.00 0.00 N +ATOM 2045 HN LYS 135 -42.857 10.371 25.533 1.00 0.00 +ATOM 2046 CA LYS 135 -42.592 9.994 23.470 1.00 0.00 C +ATOM 2047 HA LYS 135 -42.372 9.111 23.055 1.00 0.00 +ATOM 2048 CB LYS 135 -44.042 10.395 23.150 1.00 0.00 C +ATOM 2049 HB1 LYS 135 -44.235 11.261 23.611 1.00 0.00 +ATOM 2050 HB2 LYS 135 -44.120 10.520 22.161 1.00 0.00 +ATOM 2051 CG LYS 135 -45.105 9.377 23.586 1.00 0.00 C +ATOM 2052 HG1 LYS 135 -44.981 9.201 24.563 1.00 0.00 +ATOM 2053 HG2 LYS 135 -46.005 9.786 23.433 1.00 0.00 +ATOM 2054 CD LYS 135 -45.071 8.029 22.857 1.00 0.00 C +ATOM 2055 HD1 LYS 135 -46.014 7.743 22.685 1.00 0.00 +ATOM 2056 HD2 LYS 135 -44.597 8.157 21.986 1.00 0.00 +ATOM 2057 CE LYS 135 -44.365 6.907 23.624 1.00 0.00 C +ATOM 2058 HE1 LYS 135 -44.499 7.028 24.608 1.00 0.00 +ATOM 2059 HE2 LYS 135 -44.730 6.019 23.344 1.00 0.00 +ATOM 2060 NZ LYS 135 -42.913 6.930 23.340 1.00 0.00 N +ATOM 2061 HZ1 LYS 135 -42.463 6.194 23.846 1.00 0.00 +ATOM 2062 HZ2 LYS 135 -42.763 6.801 22.360 1.00 0.00 +ATOM 2063 HZ3 LYS 135 -42.532 7.810 23.623 1.00 0.00 +ATOM 2064 C LYS 135 -41.710 11.113 23.017 1.00 0.00 C +ATOM 2065 O LYS 135 -41.447 12.054 23.763 1.00 0.00 O +ATOM 2066 N SER 136 -41.236 11.031 21.760 1.00 0.00 N +ATOM 2067 HN SER 136 -41.528 10.269 21.182 1.00 0.00 +ATOM 2068 CA SER 136 -40.327 12.000 21.223 1.00 0.00 C +ATOM 2069 HA SER 136 -39.624 12.051 21.933 1.00 0.00 +ATOM 2070 CB SER 136 -39.739 11.579 19.861 1.00 0.00 C +ATOM 2071 HB1 SER 136 -39.213 10.733 19.946 1.00 0.00 +ATOM 2072 HB2 SER 136 -40.463 11.455 19.183 1.00 0.00 +ATOM 2073 OG SER 136 -38.861 12.579 19.368 1.00 0.00 O +ATOM 2074 HG1 SER 136 -38.489 12.291 18.486 1.00 0.00 +ATOM 2075 C SER 136 -41.012 13.317 21.032 1.00 0.00 C +ATOM 2076 O SER 136 -42.202 13.390 20.729 1.00 0.00 O +ATOM 2077 N LYS 137 -40.242 14.394 21.286 1.00 0.00 N +ATOM 2078 HN LYS 137 -39.330 14.215 21.654 1.00 0.00 +ATOM 2079 CA LYS 137 -40.595 15.769 21.083 1.00 0.00 C +ATOM 2080 HA LYS 137 -41.536 15.843 21.413 1.00 0.00 +ATOM 2081 CB LYS 137 -39.713 16.747 21.882 1.00 0.00 C +ATOM 2082 HB1 LYS 137 -38.755 16.589 21.644 1.00 0.00 +ATOM 2083 HB2 LYS 137 -39.966 17.684 21.642 1.00 0.00 +ATOM 2084 CG LYS 137 -39.882 16.563 23.394 1.00 0.00 C +ATOM 2085 HG1 LYS 137 -40.832 16.766 23.629 1.00 0.00 +ATOM 2086 HG2 LYS 137 -39.680 15.609 23.617 1.00 0.00 +ATOM 2087 CD LYS 137 -38.978 17.455 24.248 1.00 0.00 C +ATOM 2088 HD1 LYS 137 -38.631 16.914 25.014 1.00 0.00 +ATOM 2089 HD2 LYS 137 -38.212 17.763 23.684 1.00 0.00 +ATOM 2090 CE LYS 137 -39.698 18.686 24.807 1.00 0.00 C +ATOM 2091 HE1 LYS 137 -40.194 19.153 24.075 1.00 0.00 +ATOM 2092 HE2 LYS 137 -40.341 18.410 25.522 1.00 0.00 +ATOM 2093 NZ LYS 137 -38.721 19.632 25.392 1.00 0.00 N +ATOM 2094 HZ1 LYS 137 -39.204 20.430 25.753 1.00 0.00 +ATOM 2095 HZ2 LYS 137 -38.223 19.181 26.133 1.00 0.00 +ATOM 2096 HZ3 LYS 137 -38.076 19.924 24.686 1.00 0.00 +ATOM 2097 C LYS 137 -40.505 16.062 19.617 1.00 0.00 C +ATOM 2098 O LYS 137 -41.003 17.082 19.145 1.00 0.00 O +ATOM 2099 N GLY 138 -39.811 15.189 18.860 1.00 0.00 N +ATOM 2100 HN GLY 138 -39.371 14.398 19.285 1.00 0.00 +ATOM 2101 CA GLY 138 -39.704 15.395 17.446 1.00 0.00 C +ATOM 2102 HA1 GLY 138 -39.957 14.546 16.981 1.00 0.00 +ATOM 2103 HA2 GLY 138 -40.338 16.122 17.182 1.00 0.00 +ATOM 2104 C GLY 138 -38.303 15.779 17.096 1.00 0.00 C +ATOM 2105 O GLY 138 -38.011 16.030 15.927 1.00 0.00 O +ATOM 2106 N TYR 139 -37.393 15.863 18.088 1.00 0.00 N +ATOM 2107 HN TYR 139 -37.652 15.687 19.038 1.00 0.00 +ATOM 2108 CA TYR 139 -36.042 16.212 17.747 1.00 0.00 C +ATOM 2109 HA TYR 139 -35.965 15.885 16.805 1.00 0.00 +ATOM 2110 CB TYR 139 -35.767 17.733 17.806 1.00 0.00 C +ATOM 2111 HB1 TYR 139 -34.802 17.908 17.612 1.00 0.00 +ATOM 2112 HB2 TYR 139 -36.334 18.204 17.130 1.00 0.00 +ATOM 2113 CG TYR 139 -36.084 18.294 19.156 1.00 0.00 C +ATOM 2114 CD1 TYR 139 -37.388 18.456 19.568 1.00 0.00 C +ATOM 2115 HD1 TYR 139 -38.136 18.187 18.961 1.00 0.00 +ATOM 2116 CE1 TYR 139 -37.673 18.985 20.807 1.00 0.00 C +ATOM 2117 HE1 TYR 139 -38.624 19.088 21.099 1.00 0.00 +ATOM 2118 CZ TYR 139 -36.654 19.371 21.643 1.00 0.00 C +ATOM 2119 OH TYR 139 -36.941 19.915 22.913 1.00 0.00 O +ATOM 2120 HH TYR 139 -36.086 20.138 23.381 1.00 0.00 +ATOM 2121 CD2 TYR 139 -35.072 18.698 19.996 1.00 0.00 C +ATOM 2122 HD2 TYR 139 -34.121 18.604 19.702 1.00 0.00 +ATOM 2123 CE2 TYR 139 -35.349 19.229 21.235 1.00 0.00 C +ATOM 2124 HE2 TYR 139 -34.602 19.511 21.837 1.00 0.00 +ATOM 2125 C TYR 139 -35.071 15.488 18.636 1.00 0.00 C +ATOM 2126 O TYR 139 -35.451 14.907 19.653 1.00 0.00 O +ATOM 2127 N GLY 140 -33.776 15.481 18.240 1.00 0.00 N +ATOM 2128 HN GLY 140 -33.521 15.942 17.390 1.00 0.00 +ATOM 2129 CA GLY 140 -32.758 14.824 19.018 1.00 0.00 C +ATOM 2130 HA1 GLY 140 -32.727 15.245 19.924 1.00 0.00 +ATOM 2131 HA2 GLY 140 -32.998 13.857 19.107 1.00 0.00 +ATOM 2132 C GLY 140 -31.431 14.971 18.328 1.00 0.00 C +ATOM 2133 O GLY 140 -31.336 15.580 17.264 1.00 0.00 O +ATOM 2134 N PHE 141 -30.358 14.419 18.941 1.00 0.00 N +ATOM 2135 HN PHE 141 -30.483 13.946 19.813 1.00 0.00 +ATOM 2136 CA PHE 141 -29.039 14.498 18.366 1.00 0.00 C +ATOM 2137 HA PHE 141 -29.215 14.682 17.399 1.00 0.00 +ATOM 2138 CB PHE 141 -28.170 15.614 18.978 1.00 0.00 C +ATOM 2139 HB1 PHE 141 -28.177 15.553 19.976 1.00 0.00 +ATOM 2140 HB2 PHE 141 -27.229 15.543 18.647 1.00 0.00 +ATOM 2141 CG PHE 141 -28.739 16.933 18.563 1.00 0.00 C +ATOM 2142 CD1 PHE 141 -29.741 17.530 19.295 1.00 0.00 C +ATOM 2143 HD1 PHE 141 -30.091 17.074 20.113 1.00 0.00 +ATOM 2144 CE1 PHE 141 -30.268 18.744 18.919 1.00 0.00 C +ATOM 2145 HE1 PHE 141 -30.994 19.165 19.462 1.00 0.00 +ATOM 2146 CZ PHE 141 -29.793 19.376 17.795 1.00 0.00 C +ATOM 2147 HZ PHE 141 -30.169 20.260 17.518 1.00 0.00 +ATOM 2148 CD2 PHE 141 -28.276 17.570 17.435 1.00 0.00 C +ATOM 2149 HD2 PHE 141 -27.554 17.147 16.888 1.00 0.00 +ATOM 2150 CE2 PHE 141 -28.798 18.784 17.054 1.00 0.00 C +ATOM 2151 HE2 PHE 141 -28.452 19.239 16.233 1.00 0.00 +ATOM 2152 C PHE 141 -28.332 13.192 18.594 1.00 0.00 C +ATOM 2153 O PHE 141 -28.662 12.447 19.517 1.00 0.00 O +ATOM 2154 N VAL 142 -27.340 12.869 17.735 1.00 0.00 N +ATOM 2155 HN VAL 142 -27.102 13.491 16.989 1.00 0.00 +ATOM 2156 CA VAL 142 -26.627 11.631 17.894 1.00 0.00 C +ATOM 2157 HA VAL 142 -26.896 11.293 18.796 1.00 0.00 +ATOM 2158 CB VAL 142 -26.990 10.616 16.852 1.00 0.00 C +ATOM 2159 HB VAL 142 -26.783 10.955 15.934 1.00 0.00 +ATOM 2160 CG1 VAL 142 -26.138 9.357 17.072 1.00 0.00 C +ATOM 2161 HG11 VAL 142 -26.371 8.672 16.382 1.00 0.00 +ATOM 2162 HG12 VAL 142 -25.169 9.592 16.994 1.00 0.00 +ATOM 2163 HG13 VAL 142 -26.319 8.987 17.983 1.00 0.00 +ATOM 2164 CG2 VAL 142 -28.507 10.367 16.926 1.00 0.00 C +ATOM 2165 HG21 VAL 142 -28.768 9.691 16.237 1.00 0.00 +ATOM 2166 HG22 VAL 142 -28.745 10.025 17.835 1.00 0.00 +ATOM 2167 HG23 VAL 142 -28.994 11.223 16.754 1.00 0.00 +ATOM 2168 C VAL 142 -25.158 11.901 17.780 1.00 0.00 C +ATOM 2169 O VAL 142 -24.726 12.739 16.990 1.00 0.00 O +ATOM 2170 N SER 143 -24.345 11.191 18.589 1.00 0.00 N +ATOM 2171 HN SER 143 -24.739 10.541 19.239 1.00 0.00 +ATOM 2172 CA SER 143 -22.921 11.358 18.528 1.00 0.00 C +ATOM 2173 HA SER 143 -22.801 12.181 17.973 1.00 0.00 +ATOM 2174 CB SER 143 -22.241 11.527 19.901 1.00 0.00 C +ATOM 2175 HB1 SER 143 -22.550 10.824 20.541 1.00 0.00 +ATOM 2176 HB2 SER 143 -21.246 11.484 19.814 1.00 0.00 +ATOM 2177 OG SER 143 -22.565 12.788 20.465 1.00 0.00 O +ATOM 2178 HG1 SER 143 -22.116 12.881 21.354 1.00 0.00 +ATOM 2179 C SER 143 -22.359 10.108 17.936 1.00 0.00 C +ATOM 2180 O SER 143 -22.541 9.016 18.473 1.00 0.00 O +ATOM 2181 N PHE 144 -21.650 10.242 16.799 1.00 0.00 N +ATOM 2182 HN PHE 144 -21.519 11.148 16.396 1.00 0.00 +ATOM 2183 CA PHE 144 -21.083 9.089 16.167 1.00 0.00 C +ATOM 2184 HA PHE 144 -21.576 8.332 16.596 1.00 0.00 +ATOM 2185 CB PHE 144 -21.282 9.044 14.640 1.00 0.00 C +ATOM 2186 HB1 PHE 144 -21.025 9.919 14.229 1.00 0.00 +ATOM 2187 HB2 PHE 144 -20.731 8.313 14.238 1.00 0.00 +ATOM 2188 CG PHE 144 -22.726 8.778 14.364 1.00 0.00 C +ATOM 2189 CD1 PHE 144 -23.195 7.483 14.330 1.00 0.00 C +ATOM 2190 HD1 PHE 144 -22.562 6.726 14.492 1.00 0.00 +ATOM 2191 CE1 PHE 144 -24.519 7.216 14.077 1.00 0.00 C +ATOM 2192 HE1 PHE 144 -24.845 6.271 14.054 1.00 0.00 +ATOM 2193 CZ PHE 144 -25.392 8.252 13.856 1.00 0.00 C +ATOM 2194 HZ PHE 144 -26.356 8.064 13.669 1.00 0.00 +ATOM 2195 CD2 PHE 144 -23.610 9.809 14.147 1.00 0.00 C +ATOM 2196 HD2 PHE 144 -23.286 10.755 14.175 1.00 0.00 +ATOM 2197 CE2 PHE 144 -24.936 9.549 13.892 1.00 0.00 C +ATOM 2198 HE2 PHE 144 -25.571 10.305 13.732 1.00 0.00 +ATOM 2199 C PHE 144 -19.615 9.059 16.451 1.00 0.00 C +ATOM 2200 O PHE 144 -18.996 10.091 16.698 1.00 0.00 O +ATOM 2201 N PHE 145 -19.050 7.835 16.488 1.00 0.00 N +ATOM 2202 HN PHE 145 -19.649 7.050 16.330 1.00 0.00 +ATOM 2203 CA PHE 145 -17.661 7.563 16.735 1.00 0.00 C +ATOM 2204 HA PHE 145 -17.445 8.131 17.530 1.00 0.00 +ATOM 2205 CB PHE 145 -17.405 6.068 17.012 1.00 0.00 C +ATOM 2206 HB1 PHE 145 -17.983 5.755 17.766 1.00 0.00 +ATOM 2207 HB2 PHE 145 -17.603 5.529 16.194 1.00 0.00 +ATOM 2208 CG PHE 145 -15.973 5.865 17.387 1.00 0.00 C +ATOM 2209 CD1 PHE 145 -15.532 6.231 18.637 1.00 0.00 C +ATOM 2210 HD1 PHE 145 -16.174 6.637 19.287 1.00 0.00 +ATOM 2211 CE1 PHE 145 -14.220 6.046 19.006 1.00 0.00 C +ATOM 2212 HE1 PHE 145 -13.912 6.324 19.916 1.00 0.00 +ATOM 2213 CZ PHE 145 -13.333 5.480 18.124 1.00 0.00 C +ATOM 2214 HZ PHE 145 -12.378 5.345 18.388 1.00 0.00 +ATOM 2215 CD2 PHE 145 -15.081 5.287 16.512 1.00 0.00 C +ATOM 2216 HD2 PHE 145 -15.390 5.001 15.605 1.00 0.00 +ATOM 2217 CE2 PHE 145 -13.767 5.100 16.876 1.00 0.00 C +ATOM 2218 HE2 PHE 145 -13.125 4.686 16.230 1.00 0.00 +ATOM 2219 C PHE 145 -16.842 7.961 15.550 1.00 0.00 C +ATOM 2220 O PHE 145 -15.713 8.424 15.702 1.00 0.00 O +ATOM 2221 N ASN 146 -17.379 7.759 14.330 1.00 0.00 N +ATOM 2222 HN ASN 146 -18.317 7.422 14.250 1.00 0.00 +ATOM 2223 CA ASN 146 -16.613 8.024 13.146 1.00 0.00 C +ATOM 2224 HA ASN 146 -15.784 8.487 13.459 1.00 0.00 +ATOM 2225 CB ASN 146 -16.282 6.718 12.399 1.00 0.00 C +ATOM 2226 HB1 ASN 146 -15.923 6.044 13.045 1.00 0.00 +ATOM 2227 HB2 ASN 146 -17.110 6.359 11.969 1.00 0.00 +ATOM 2228 CG ASN 146 -15.241 6.974 11.325 1.00 0.00 C +ATOM 2229 OD1 ASN 146 -14.044 6.802 11.547 1.00 0.00 O +ATOM 2230 ND2 ASN 146 -15.705 7.383 10.117 1.00 0.00 N +ATOM 2231 HD21 ASN 146 -16.687 7.501 9.972 1.00 0.00 +ATOM 2232 HD22 ASN 146 -15.064 7.567 9.371 1.00 0.00 +ATOM 2233 C ASN 146 -17.427 8.898 12.238 1.00 0.00 C +ATOM 2234 O ASN 146 -18.656 8.831 12.206 1.00 0.00 O +ATOM 2235 N LYS 147 -16.723 9.740 11.460 1.00 0.00 N +ATOM 2236 HN LYS 147 -15.725 9.677 11.484 1.00 0.00 +ATOM 2237 CA LYS 147 -17.313 10.721 10.599 1.00 0.00 C +ATOM 2238 HA LYS 147 -17.899 11.233 11.227 1.00 0.00 +ATOM 2239 CB LYS 147 -16.263 11.619 9.916 1.00 0.00 C +ATOM 2240 HB1 LYS 147 -15.644 11.965 10.621 1.00 0.00 +ATOM 2241 HB2 LYS 147 -15.749 11.058 9.267 1.00 0.00 +ATOM 2242 CG LYS 147 -16.835 12.824 9.153 1.00 0.00 C +ATOM 2243 HG1 LYS 147 -17.431 13.331 9.776 1.00 0.00 +ATOM 2244 HG2 LYS 147 -16.071 13.406 8.875 1.00 0.00 +ATOM 2245 CD LYS 147 -17.647 12.480 7.899 1.00 0.00 C +ATOM 2246 HD1 LYS 147 -17.060 11.968 7.272 1.00 0.00 +ATOM 2247 HD2 LYS 147 -18.422 11.909 8.170 1.00 0.00 +ATOM 2248 CE LYS 147 -18.187 13.707 7.161 1.00 0.00 C +ATOM 2249 HE1 LYS 147 -18.919 14.132 7.694 1.00 0.00 +ATOM 2250 HE2 LYS 147 -17.452 14.370 7.017 1.00 0.00 +ATOM 2251 NZ LYS 147 -18.732 13.312 5.843 1.00 0.00 N +ATOM 2252 HZ1 LYS 147 -19.081 14.121 5.371 1.00 0.00 +ATOM 2253 HZ2 LYS 147 -18.008 12.893 5.295 1.00 0.00 +ATOM 2254 HZ3 LYS 147 -19.475 12.655 5.973 1.00 0.00 +ATOM 2255 C LYS 147 -18.117 10.073 9.524 1.00 0.00 C +ATOM 2256 O LYS 147 -19.207 10.538 9.197 1.00 0.00 O +ATOM 2257 N TRP 148 -17.597 8.979 8.951 1.00 0.00 N +ATOM 2258 HN TRP 148 -16.728 8.628 9.301 1.00 0.00 +ATOM 2259 CA TRP 148 -18.221 8.285 7.863 1.00 0.00 C +ATOM 2260 HA TRP 148 -18.310 8.953 7.124 1.00 0.00 +ATOM 2261 CB TRP 148 -17.375 7.064 7.443 1.00 0.00 C +ATOM 2262 HB1 TRP 148 -16.501 7.399 7.090 1.00 0.00 +ATOM 2263 HB2 TRP 148 -17.213 6.504 8.256 1.00 0.00 +ATOM 2264 CG TRP 148 -17.964 6.155 6.386 1.00 0.00 C +ATOM 2265 CD1 TRP 148 -18.780 5.074 6.554 1.00 0.00 C +ATOM 2266 HD1 TRP 148 -19.133 4.754 7.434 1.00 0.00 +ATOM 2267 NE1 TRP 148 -19.047 4.488 5.340 1.00 0.00 N +ATOM 2268 HE1 TRP 148 -19.619 3.681 5.194 1.00 0.00 +ATOM 2269 CE2 TRP 148 -18.394 5.199 4.358 1.00 0.00 C +ATOM 2270 CD2 TRP 148 -17.709 6.248 4.973 1.00 0.00 C +ATOM 2271 CE3 TRP 148 -16.952 7.124 4.249 1.00 0.00 C +ATOM 2272 HE3 TRP 148 -16.448 7.866 4.691 1.00 0.00 +ATOM 2273 CZ3 TRP 148 -16.912 6.941 2.883 1.00 0.00 C +ATOM 2274 HZ3 TRP 148 -16.381 7.575 2.321 1.00 0.00 +ATOM 2275 CZ2 TRP 148 -18.333 5.009 3.007 1.00 0.00 C +ATOM 2276 HZ2 TRP 148 -18.811 4.249 2.567 1.00 0.00 +ATOM 2277 CH2 TRP 148 -17.587 5.905 2.273 1.00 0.00 C +ATOM 2278 HH2 TRP 148 -17.534 5.802 1.280 1.00 0.00 +ATOM 2279 C TRP 148 -19.555 7.796 8.319 1.00 0.00 C +ATOM 2280 O TRP 148 -20.546 7.883 7.595 1.00 0.00 O +ATOM 2281 N ASP 149 -19.608 7.286 9.560 1.00 0.00 N +ATOM 2282 HN ASP 149 -18.788 7.326 10.131 1.00 0.00 +ATOM 2283 CA ASP 149 -20.793 6.687 10.097 1.00 0.00 C +ATOM 2284 HA ASP 149 -20.995 5.948 9.454 1.00 0.00 +ATOM 2285 CB ASP 149 -20.572 6.166 11.532 1.00 0.00 C +ATOM 2286 HB1 ASP 149 -20.289 6.922 12.123 1.00 0.00 +ATOM 2287 HB2 ASP 149 -21.422 5.771 11.880 1.00 0.00 +ATOM 2288 CG ASP 149 -19.481 5.092 11.529 1.00 0.00 C +ATOM 2289 OD1 ASP 149 -18.619 5.102 10.609 1.00 0.00 O +ATOM 2290 OD2 ASP 149 -19.494 4.243 12.459 1.00 0.00 O +ATOM 2291 C ASP 149 -21.900 7.701 10.149 1.00 0.00 C +ATOM 2292 O ASP 149 -23.036 7.404 9.780 1.00 0.00 O +ATOM 2293 N ALA 150 -21.600 8.927 10.619 1.00 0.00 N +ATOM 2294 HN ALA 150 -20.657 9.130 10.883 1.00 0.00 +ATOM 2295 CA ALA 150 -22.601 9.951 10.751 1.00 0.00 C +ATOM 2296 HA ALA 150 -23.302 9.518 11.318 1.00 0.00 +ATOM 2297 CB ALA 150 -22.053 11.233 11.401 1.00 0.00 C +ATOM 2298 HB1 ALA 150 -22.785 11.911 11.470 1.00 0.00 +ATOM 2299 HB2 ALA 150 -21.707 11.022 12.315 1.00 0.00 +ATOM 2300 HB3 ALA 150 -21.310 11.600 10.840 1.00 0.00 +ATOM 2301 C ALA 150 -23.119 10.329 9.400 1.00 0.00 C +ATOM 2302 O ALA 150 -24.325 10.454 9.195 1.00 0.00 O +ATOM 2303 N GLU 151 -22.199 10.496 8.435 1.00 0.00 N +ATOM 2304 HN GLU 151 -21.243 10.315 8.665 1.00 0.00 +ATOM 2305 CA GLU 151 -22.499 10.917 7.096 1.00 0.00 C +ATOM 2306 HA GLU 151 -22.933 11.814 7.180 1.00 0.00 +ATOM 2307 CB GLU 151 -21.210 10.921 6.261 1.00 0.00 C +ATOM 2308 HB1 GLU 151 -20.586 11.589 6.666 1.00 0.00 +ATOM 2309 HB2 GLU 151 -20.805 10.008 6.319 1.00 0.00 +ATOM 2310 CG GLU 151 -21.355 11.266 4.780 1.00 0.00 C +ATOM 2311 HG1 GLU 151 -22.106 10.746 4.373 1.00 0.00 +ATOM 2312 HG2 GLU 151 -21.526 12.245 4.665 1.00 0.00 +ATOM 2313 CD GLU 151 -20.031 10.880 4.130 1.00 0.00 C +ATOM 2314 OE1 GLU 151 -19.166 10.321 4.855 1.00 0.00 O +ATOM 2315 OE2 GLU 151 -19.864 11.128 2.907 1.00 0.00 O +ATOM 2316 C GLU 151 -23.400 9.910 6.459 1.00 0.00 C +ATOM 2317 O GLU 151 -24.414 10.253 5.851 1.00 0.00 O +ATOM 2318 N ASN 152 -23.037 8.626 6.604 1.00 0.00 N +ATOM 2319 HN ASN 152 -22.230 8.413 7.154 1.00 0.00 +ATOM 2320 CA ASN 152 -23.762 7.552 6.001 1.00 0.00 C +ATOM 2321 HA ASN 152 -23.776 7.763 5.024 1.00 0.00 +ATOM 2322 CB ASN 152 -23.087 6.191 6.268 1.00 0.00 C +ATOM 2323 HB1 ASN 152 -22.117 6.240 6.029 1.00 0.00 +ATOM 2324 HB2 ASN 152 -23.180 5.949 7.234 1.00 0.00 +ATOM 2325 CG ASN 152 -23.763 5.128 5.415 1.00 0.00 C +ATOM 2326 OD1 ASN 152 -24.934 4.806 5.611 1.00 0.00 O +ATOM 2327 ND2 ASN 152 -23.006 4.572 4.432 1.00 0.00 N +ATOM 2328 HD21 ASN 152 -22.059 4.867 4.302 1.00 0.00 +ATOM 2329 HD22 ASN 152 -23.396 3.868 3.839 1.00 0.00 +ATOM 2330 C ASN 152 -25.141 7.526 6.582 1.00 0.00 C +ATOM 2331 O ASN 152 -26.126 7.358 5.864 1.00 0.00 O +ATOM 2332 N ALA 153 -25.241 7.717 7.909 1.00 0.00 N +ATOM 2333 HN ALA 153 -24.409 7.893 8.436 1.00 0.00 +ATOM 2334 CA ALA 153 -26.500 7.677 8.595 1.00 0.00 C +ATOM 2335 HA ALA 153 -26.851 6.770 8.361 1.00 0.00 +ATOM 2336 CB ALA 153 -26.360 7.855 10.114 1.00 0.00 C +ATOM 2337 HB1 ALA 153 -27.265 7.819 10.539 1.00 0.00 +ATOM 2338 HB2 ALA 153 -25.788 7.123 10.484 1.00 0.00 +ATOM 2339 HB3 ALA 153 -25.936 8.739 10.308 1.00 0.00 +ATOM 2340 C ALA 153 -27.388 8.777 8.102 1.00 0.00 C +ATOM 2341 O ALA 153 -28.587 8.569 7.930 1.00 0.00 O +ATOM 2342 N ILE 154 -26.833 9.980 7.860 1.00 0.00 N +ATOM 2343 HN ILE 154 -25.849 10.111 7.983 1.00 0.00 +ATOM 2344 CA ILE 154 -27.657 11.076 7.424 1.00 0.00 C +ATOM 2345 HA ILE 154 -28.306 11.197 8.175 1.00 0.00 +ATOM 2346 CB ILE 154 -26.901 12.365 7.197 1.00 0.00 C +ATOM 2347 HB ILE 154 -26.068 12.171 6.679 1.00 0.00 +ATOM 2348 CG2 ILE 154 -27.779 13.310 6.357 1.00 0.00 C +ATOM 2349 HG21 ILE 154 -27.290 14.168 6.200 1.00 0.00 +ATOM 2350 HG22 ILE 154 -27.987 12.879 5.479 1.00 0.00 +ATOM 2351 HG23 ILE 154 -28.631 13.497 6.847 1.00 0.00 +ATOM 2352 CG1 ILE 154 -26.420 12.977 8.527 1.00 0.00 C +ATOM 2353 HG11 ILE 154 -27.220 13.266 9.053 1.00 0.00 +ATOM 2354 HG12 ILE 154 -25.921 12.277 9.038 1.00 0.00 +ATOM 2355 CD ILE 154 -25.501 14.187 8.345 1.00 0.00 C +ATOM 2356 HD1 ILE 154 -25.226 14.535 9.241 1.00 0.00 +ATOM 2357 HD2 ILE 154 -24.688 13.914 7.830 1.00 0.00 +ATOM 2358 HD3 ILE 154 -25.988 14.903 7.845 1.00 0.00 +ATOM 2359 C ILE 154 -28.291 10.707 6.119 1.00 0.00 C +ATOM 2360 O ILE 154 -29.476 10.953 5.901 1.00 0.00 O +ATOM 2361 N GLN 155 -27.508 10.120 5.204 1.00 0.00 N +ATOM 2362 HN GLN 155 -26.561 9.896 5.434 1.00 0.00 +ATOM 2363 CA GLN 155 -28.014 9.810 3.900 1.00 0.00 C +ATOM 2364 HA GLN 155 -28.432 10.666 3.595 1.00 0.00 +ATOM 2365 CB GLN 155 -26.879 9.351 2.976 1.00 0.00 C +ATOM 2366 HB1 GLN 155 -26.445 8.540 3.369 1.00 0.00 +ATOM 2367 HB2 GLN 155 -27.259 9.124 2.079 1.00 0.00 +ATOM 2368 CG GLN 155 -25.824 10.444 2.805 1.00 0.00 C +ATOM 2369 HG1 GLN 155 -26.209 11.211 2.292 1.00 0.00 +ATOM 2370 HG2 GLN 155 -25.517 10.764 3.702 1.00 0.00 +ATOM 2371 CD GLN 155 -24.648 9.864 2.044 1.00 0.00 C +ATOM 2372 OE1 GLN 155 -23.964 10.579 1.315 1.00 0.00 O +ATOM 2373 NE2 GLN 155 -24.390 8.541 2.221 1.00 0.00 N +ATOM 2374 HE21 GLN 155 -24.965 7.997 2.831 1.00 0.00 +ATOM 2375 HE22 GLN 155 -23.625 8.112 1.741 1.00 0.00 +ATOM 2376 C GLN 155 -29.054 8.727 3.959 1.00 0.00 C +ATOM 2377 O GLN 155 -30.137 8.864 3.392 1.00 0.00 O +ATOM 2378 N GLN 156 -28.757 7.632 4.685 1.00 0.00 N +ATOM 2379 HN GLN 156 -27.907 7.606 5.211 1.00 0.00 +ATOM 2380 CA GLN 156 -29.642 6.503 4.715 1.00 0.00 C +ATOM 2381 HA GLN 156 -29.793 6.276 3.753 1.00 0.00 +ATOM 2382 CB GLN 156 -29.023 5.321 5.474 1.00 0.00 C +ATOM 2383 HB1 GLN 156 -28.879 5.588 6.427 1.00 0.00 +ATOM 2384 HB2 GLN 156 -29.654 4.546 5.436 1.00 0.00 +ATOM 2385 CG GLN 156 -27.679 4.896 4.870 1.00 0.00 C +ATOM 2386 HG1 GLN 156 -27.035 5.661 4.903 1.00 0.00 +ATOM 2387 HG2 GLN 156 -27.306 4.124 5.384 1.00 0.00 +ATOM 2388 CD GLN 156 -27.904 4.483 3.422 1.00 0.00 C +ATOM 2389 OE1 GLN 156 -28.299 5.293 2.584 1.00 0.00 O +ATOM 2390 NE2 GLN 156 -27.650 3.181 3.116 1.00 0.00 N +ATOM 2391 HE21 GLN 156 -27.333 2.553 3.827 1.00 0.00 +ATOM 2392 HE22 GLN 156 -27.780 2.853 2.180 1.00 0.00 +ATOM 2393 C GLN 156 -30.927 6.885 5.379 1.00 0.00 C +ATOM 2394 O GLN 156 -32.008 6.532 4.914 1.00 0.00 O +ATOM 2395 N MET 157 -30.815 7.609 6.502 1.00 0.00 N +ATOM 2396 HN MET 157 -29.888 7.826 6.808 1.00 0.00 +ATOM 2397 CA MET 157 -31.895 8.102 7.307 1.00 0.00 C +ATOM 2398 HA MET 157 -32.510 7.314 7.282 1.00 0.00 +ATOM 2399 CB MET 157 -31.514 8.423 8.761 1.00 0.00 C +ATOM 2400 HB1 MET 157 -30.683 8.979 8.769 1.00 0.00 +ATOM 2401 HB2 MET 157 -32.259 8.931 9.193 1.00 0.00 +ATOM 2402 CG MET 157 -31.262 7.138 9.551 1.00 0.00 C +ATOM 2403 HG1 MET 157 -30.417 6.769 9.164 1.00 0.00 +ATOM 2404 HG2 MET 157 -31.092 7.449 10.486 1.00 0.00 +ATOM 2405 SD MET 157 -32.639 5.946 9.461 1.00 0.00 S +ATOM 2406 CE MET 157 -33.700 6.645 10.759 1.00 0.00 C +ATOM 2407 HE1 MET 157 -34.529 6.093 10.845 1.00 0.00 +ATOM 2408 HE2 MET 157 -33.207 6.644 11.629 1.00 0.00 +ATOM 2409 HE3 MET 157 -33.948 7.583 10.518 1.00 0.00 +ATOM 2410 C MET 157 -32.569 9.282 6.690 1.00 0.00 C +ATOM 2411 O MET 157 -33.590 9.723 7.208 1.00 0.00 O +ATOM 2412 N GLY 158 -31.966 9.916 5.668 1.00 0.00 N +ATOM 2413 HN GLY 158 -31.100 9.576 5.302 1.00 0.00 +ATOM 2414 CA GLY 158 -32.582 11.089 5.108 1.00 0.00 C +ATOM 2415 HA1 GLY 158 -32.583 11.808 5.803 1.00 0.00 +ATOM 2416 HA2 GLY 158 -32.040 11.386 4.322 1.00 0.00 +ATOM 2417 C GLY 158 -33.986 10.780 4.681 1.00 0.00 C +ATOM 2418 O GLY 158 -34.218 10.265 3.589 1.00 0.00 O +ATOM 2419 N GLY 159 -34.966 11.163 5.528 1.00 0.00 N +ATOM 2420 HN GLY 159 -34.707 11.594 6.392 1.00 0.00 +ATOM 2421 CA GLY 159 -36.359 10.980 5.246 1.00 0.00 C +ATOM 2422 HA1 GLY 159 -36.888 11.427 5.968 1.00 0.00 +ATOM 2423 HA2 GLY 159 -36.562 11.413 4.368 1.00 0.00 +ATOM 2424 C GLY 159 -36.691 9.522 5.191 1.00 0.00 C +ATOM 2425 O GLY 159 -37.419 9.083 4.302 1.00 0.00 O +ATOM 2426 N GLN 160 -36.163 8.735 6.146 1.00 0.00 N +ATOM 2427 HN GLN 160 -35.577 9.151 6.842 1.00 0.00 +ATOM 2428 CA GLN 160 -36.407 7.325 6.205 1.00 0.00 C +ATOM 2429 HA GLN 160 -36.541 7.037 5.257 1.00 0.00 +ATOM 2430 CB GLN 160 -35.245 6.559 6.860 1.00 0.00 C +ATOM 2431 HB1 GLN 160 -34.413 6.728 6.332 1.00 0.00 +ATOM 2432 HB2 GLN 160 -35.123 6.899 7.792 1.00 0.00 +ATOM 2433 CG GLN 160 -35.472 5.052 6.926 1.00 0.00 C +ATOM 2434 HG1 GLN 160 -34.809 4.627 7.543 1.00 0.00 +ATOM 2435 HG2 GLN 160 -36.399 4.853 7.244 1.00 0.00 +ATOM 2436 CD GLN 160 -35.281 4.532 5.514 1.00 0.00 C +ATOM 2437 OE1 GLN 160 -34.608 5.166 4.704 1.00 0.00 O +ATOM 2438 NE2 GLN 160 -35.896 3.361 5.200 1.00 0.00 N +ATOM 2439 HE21 GLN 160 -36.444 2.884 5.887 1.00 0.00 +ATOM 2440 HE22 GLN 160 -35.801 2.977 4.282 1.00 0.00 +ATOM 2441 C GLN 160 -37.606 7.125 7.069 1.00 0.00 C +ATOM 2442 O GLN 160 -37.908 7.952 7.928 1.00 0.00 O +ATOM 2443 N TRP 161 -38.329 6.007 6.864 1.00 0.00 N +ATOM 2444 HN TRP 161 -38.043 5.329 6.187 1.00 0.00 +ATOM 2445 CA TRP 161 -39.515 5.814 7.637 1.00 0.00 C +ATOM 2446 HA TRP 161 -39.894 6.733 7.748 1.00 0.00 +ATOM 2447 CB TRP 161 -40.532 4.894 6.942 1.00 0.00 C +ATOM 2448 HB1 TRP 161 -40.069 4.058 6.648 1.00 0.00 +ATOM 2449 HB2 TRP 161 -41.259 4.663 7.588 1.00 0.00 +ATOM 2450 CG TRP 161 -41.161 5.539 5.731 1.00 0.00 C +ATOM 2451 CD1 TRP 161 -40.752 5.548 4.430 1.00 0.00 C +ATOM 2452 HD1 TRP 161 -39.933 5.092 4.082 1.00 0.00 +ATOM 2453 NE1 TRP 161 -41.634 6.277 3.667 1.00 0.00 N +ATOM 2454 HE1 TRP 161 -41.562 6.437 2.683 1.00 0.00 +ATOM 2455 CE2 TRP 161 -42.635 6.750 4.490 1.00 0.00 C +ATOM 2456 CD2 TRP 161 -42.369 6.309 5.785 1.00 0.00 C +ATOM 2457 CE3 TRP 161 -43.187 6.626 6.831 1.00 0.00 C +ATOM 2458 HE3 TRP 161 -42.990 6.313 7.760 1.00 0.00 +ATOM 2459 CZ3 TRP 161 -44.294 7.395 6.552 1.00 0.00 C +ATOM 2460 HZ3 TRP 161 -44.919 7.641 7.293 1.00 0.00 +ATOM 2461 CZ2 TRP 161 -43.728 7.521 4.217 1.00 0.00 C +ATOM 2462 HZ2 TRP 161 -43.918 7.846 3.290 1.00 0.00 +ATOM 2463 CH2 TRP 161 -44.558 7.833 5.270 1.00 0.00 C +ATOM 2464 HH2 TRP 161 -45.371 8.390 5.102 1.00 0.00 +ATOM 2465 C TRP 161 -39.133 5.205 8.943 1.00 0.00 C +ATOM 2466 O TRP 161 -38.948 3.995 9.057 1.00 0.00 O +ATOM 2467 N LEU 162 -38.993 6.057 9.974 1.00 0.00 N +ATOM 2468 HN LEU 162 -39.081 7.041 9.816 1.00 0.00 +ATOM 2469 CA LEU 162 -38.720 5.576 11.292 1.00 0.00 C +ATOM 2470 HA LEU 162 -38.543 4.596 11.202 1.00 0.00 +ATOM 2471 CB LEU 162 -37.505 6.254 11.962 1.00 0.00 C +ATOM 2472 HB1 LEU 162 -36.700 6.093 11.391 1.00 0.00 +ATOM 2473 HB2 LEU 162 -37.684 7.236 12.018 1.00 0.00 +ATOM 2474 CG LEU 162 -37.204 5.733 13.384 1.00 0.00 C +ATOM 2475 HG LEU 162 -38.022 5.865 13.943 1.00 0.00 +ATOM 2476 CD1 LEU 162 -36.915 4.225 13.365 1.00 0.00 C +ATOM 2477 HD11 LEU 162 -36.723 3.911 14.295 1.00 0.00 +ATOM 2478 HD12 LEU 162 -37.711 3.738 13.006 1.00 0.00 +ATOM 2479 HD13 LEU 162 -36.123 4.045 12.782 1.00 0.00 +ATOM 2480 CD2 LEU 162 -36.083 6.541 14.067 1.00 0.00 C +ATOM 2481 HD21 LEU 162 -35.918 6.174 14.983 1.00 0.00 +ATOM 2482 HD22 LEU 162 -35.245 6.473 13.525 1.00 0.00 +ATOM 2483 HD23 LEU 162 -36.358 7.500 14.137 1.00 0.00 +ATOM 2484 C LEU 162 -39.933 5.916 12.077 1.00 0.00 C +ATOM 2485 O LEU 162 -40.231 7.090 12.296 1.00 0.00 O +ATOM 2486 N GLY 163 -40.660 4.887 12.541 1.00 0.00 N +ATOM 2487 HN GLY 163 -40.346 3.946 12.414 1.00 0.00 +ATOM 2488 CA GLY 163 -41.889 5.155 13.218 1.00 0.00 C +ATOM 2489 HA1 GLY 163 -42.086 4.406 13.850 1.00 0.00 +ATOM 2490 HA2 GLY 163 -41.803 6.009 13.730 1.00 0.00 +ATOM 2491 C GLY 163 -42.951 5.265 12.173 1.00 0.00 C +ATOM 2492 O GLY 163 -42.835 4.716 11.078 1.00 0.00 O +ATOM 2493 N GLY 164 -44.034 5.979 12.519 1.00 0.00 N +ATOM 2494 HN GLY 164 -44.056 6.408 13.422 1.00 0.00 +ATOM 2495 CA GLY 164 -45.158 6.152 11.652 1.00 0.00 C +ATOM 2496 HA1 GLY 164 -45.502 5.249 11.395 1.00 0.00 +ATOM 2497 HA2 GLY 164 -45.868 6.650 12.149 1.00 0.00 +ATOM 2498 C GLY 164 -44.746 6.914 10.436 1.00 0.00 C +ATOM 2499 O GLY 164 -45.264 6.666 9.349 1.00 0.00 O +ATOM 2500 N ARG 165 -43.826 7.886 10.577 1.00 0.00 N +ATOM 2501 HN ARG 165 -43.370 8.048 11.452 1.00 0.00 +ATOM 2502 CA ARG 165 -43.527 8.678 9.423 1.00 0.00 C +ATOM 2503 HA ARG 165 -43.900 8.122 8.680 1.00 0.00 +ATOM 2504 CB ARG 165 -44.186 10.061 9.472 1.00 0.00 C +ATOM 2505 HB1 ARG 165 -43.898 10.582 8.668 1.00 0.00 +ATOM 2506 HB2 ARG 165 -45.179 9.944 9.456 1.00 0.00 +ATOM 2507 CG ARG 165 -43.811 10.852 10.723 1.00 0.00 C +ATOM 2508 HG1 ARG 165 -44.241 10.420 11.516 1.00 0.00 +ATOM 2509 HG2 ARG 165 -42.817 10.830 10.830 1.00 0.00 +ATOM 2510 CD ARG 165 -44.261 12.306 10.658 1.00 0.00 C +ATOM 2511 HD1 ARG 165 -45.254 12.367 10.553 1.00 0.00 +ATOM 2512 HD2 ARG 165 -43.982 12.802 11.480 1.00 0.00 +ATOM 2513 NE ARG 165 -43.588 12.883 9.464 1.00 0.00 N +ATOM 2514 HE ARG 165 -43.181 12.273 8.784 1.00 0.00 +ATOM 2515 CZ ARG 165 -43.519 14.231 9.285 1.00 0.00 C +ATOM 2516 NH1 ARG 165 -44.074 15.078 10.201 1.00 0.00 N +ATOM 2517 HH11 ARG 165 -44.534 14.709 11.009 1.00 0.00 +ATOM 2518 HH12 ARG 165 -44.020 16.067 10.064 1.00 0.00 +ATOM 2519 NH2 ARG 165 -42.883 14.730 8.187 1.00 0.00 N +ATOM 2520 HH21 ARG 165 -42.472 14.107 7.521 1.00 0.00 +ATOM 2521 HH22 ARG 165 -42.828 15.719 8.048 1.00 0.00 +ATOM 2522 C ARG 165 -42.055 8.853 9.244 1.00 0.00 C +ATOM 2523 O ARG 165 -41.242 8.405 10.052 1.00 0.00 O +ATOM 2524 N GLN 166 -41.683 9.500 8.120 1.00 0.00 N +ATOM 2525 HN GLN 166 -42.391 9.830 7.496 1.00 0.00 +ATOM 2526 CA GLN 166 -40.308 9.730 7.790 1.00 0.00 C +ATOM 2527 HA GLN 166 -39.856 8.850 7.938 1.00 0.00 +ATOM 2528 CB GLN 166 -40.109 10.191 6.337 1.00 0.00 C +ATOM 2529 HB1 GLN 166 -40.581 11.064 6.214 1.00 0.00 +ATOM 2530 HB2 GLN 166 -39.130 10.316 6.175 1.00 0.00 +ATOM 2531 CG GLN 166 -40.648 9.200 5.298 1.00 0.00 C +ATOM 2532 HG1 GLN 166 -40.166 8.328 5.377 1.00 0.00 +ATOM 2533 HG2 GLN 166 -41.627 9.054 5.442 1.00 0.00 +ATOM 2534 CD GLN 166 -40.415 9.792 3.912 1.00 0.00 C +ATOM 2535 OE1 GLN 166 -40.727 9.174 2.895 1.00 0.00 O +ATOM 2536 NE2 GLN 166 -39.856 11.029 3.869 1.00 0.00 N +ATOM 2537 HE21 GLN 166 -39.621 11.501 4.719 1.00 0.00 +ATOM 2538 HE22 GLN 166 -39.680 11.468 2.988 1.00 0.00 +ATOM 2539 C GLN 166 -39.807 10.814 8.692 1.00 0.00 C +ATOM 2540 O GLN 166 -40.537 11.740 9.042 1.00 0.00 O +ATOM 2541 N ILE 167 -38.520 10.724 9.075 1.00 0.00 N +ATOM 2542 HN ILE 167 -37.954 9.978 8.724 1.00 0.00 +ATOM 2543 CA ILE 167 -37.945 11.678 9.977 1.00 0.00 C +ATOM 2544 HA ILE 167 -38.710 12.244 10.283 1.00 0.00 +ATOM 2545 CB ILE 167 -37.307 11.064 11.189 1.00 0.00 C +ATOM 2546 HB ILE 167 -36.927 11.780 11.775 1.00 0.00 +ATOM 2547 CG2 ILE 167 -38.403 10.309 11.960 1.00 0.00 C +ATOM 2548 HG21 ILE 167 -38.007 9.888 12.776 1.00 0.00 +ATOM 2549 HG22 ILE 167 -39.121 10.950 12.231 1.00 0.00 +ATOM 2550 HG23 ILE 167 -38.794 9.599 11.374 1.00 0.00 +ATOM 2551 CG1 ILE 167 -36.119 10.175 10.788 1.00 0.00 C +ATOM 2552 HG11 ILE 167 -36.473 9.347 10.353 1.00 0.00 +ATOM 2553 HG12 ILE 167 -35.551 10.677 10.136 1.00 0.00 +ATOM 2554 CD ILE 167 -35.242 9.760 11.969 1.00 0.00 C +ATOM 2555 HD1 ILE 167 -34.491 9.186 11.641 1.00 0.00 +ATOM 2556 HD2 ILE 167 -34.869 10.576 12.411 1.00 0.00 +ATOM 2557 HD3 ILE 167 -35.791 9.246 12.628 1.00 0.00 +ATOM 2558 C ILE 167 -36.894 12.422 9.221 1.00 0.00 C +ATOM 2559 O ILE 167 -36.501 12.023 8.126 1.00 0.00 O +ATOM 2560 N ARG 168 -36.454 13.569 9.769 1.00 0.00 N +ATOM 2561 HN ARG 168 -36.791 13.853 10.666 1.00 0.00 +ATOM 2562 CA ARG 168 -35.506 14.384 9.074 1.00 0.00 C +ATOM 2563 HA ARG 168 -35.457 13.940 8.179 1.00 0.00 +ATOM 2564 CB ARG 168 -35.940 15.853 8.939 1.00 0.00 C +ATOM 2565 HB1 ARG 168 -36.805 15.879 8.438 1.00 0.00 +ATOM 2566 HB2 ARG 168 -36.076 16.225 9.857 1.00 0.00 +ATOM 2567 CG ARG 168 -34.948 16.756 8.209 1.00 0.00 C +ATOM 2568 HG1 ARG 168 -34.131 16.857 8.777 1.00 0.00 +ATOM 2569 HG2 ARG 168 -34.700 16.322 7.343 1.00 0.00 +ATOM 2570 CD ARG 168 -35.512 18.146 7.914 1.00 0.00 C +ATOM 2571 HD1 ARG 168 -34.819 18.848 8.080 1.00 0.00 +ATOM 2572 HD2 ARG 168 -35.824 18.203 6.965 1.00 0.00 +ATOM 2573 NE ARG 168 -36.667 18.360 8.831 1.00 0.00 N +ATOM 2574 HE ARG 168 -37.597 18.198 8.501 1.00 0.00 +ATOM 2575 CZ ARG 168 -36.471 18.774 10.115 1.00 0.00 C +ATOM 2576 NH1 ARG 168 -35.204 18.981 10.579 1.00 0.00 N +ATOM 2577 HH11 ARG 168 -34.420 18.829 9.977 1.00 0.00 +ATOM 2578 HH12 ARG 168 -35.060 19.285 11.521 1.00 0.00 +ATOM 2579 NH2 ARG 168 -37.546 18.964 10.934 1.00 0.00 N +ATOM 2580 HH21 ARG 168 -38.471 18.800 10.591 1.00 0.00 +ATOM 2581 HH22 ARG 168 -37.409 19.268 11.877 1.00 0.00 +ATOM 2582 C ARG 168 -34.193 14.355 9.775 1.00 0.00 C +ATOM 2583 O ARG 168 -34.115 14.151 10.986 1.00 0.00 O +ATOM 2584 N THR 169 -33.112 14.514 8.985 1.00 0.00 N +ATOM 2585 HN THR 169 -33.232 14.602 7.996 1.00 0.00 +ATOM 2586 CA THR 169 -31.797 14.559 9.542 1.00 0.00 C +ATOM 2587 HA THR 169 -31.957 14.662 10.524 1.00 0.00 +ATOM 2588 CB THR 169 -30.995 13.305 9.336 1.00 0.00 C +ATOM 2589 HB THR 169 -30.053 13.437 9.645 1.00 0.00 +ATOM 2590 OG1 THR 169 -30.856 13.020 7.954 1.00 0.00 O +ATOM 2591 HG1 THR 169 -30.320 12.184 7.838 1.00 0.00 +ATOM 2592 CG2 THR 169 -31.698 12.145 10.064 1.00 0.00 C +ATOM 2593 HG21 THR 169 -31.174 11.303 9.934 1.00 0.00 +ATOM 2594 HG22 THR 169 -31.759 12.353 11.040 1.00 0.00 +ATOM 2595 HG23 THR 169 -32.618 12.025 9.690 1.00 0.00 +ATOM 2596 C THR 169 -31.061 15.714 8.937 1.00 0.00 C +ATOM 2597 O THR 169 -31.371 16.180 7.841 1.00 0.00 O +ATOM 2598 N ASN 170 -30.092 16.246 9.703 1.00 0.00 N +ATOM 2599 HN ASN 170 -29.947 15.871 10.618 1.00 0.00 +ATOM 2600 CA ASN 170 -29.257 17.327 9.267 1.00 0.00 C +ATOM 2601 HA ASN 170 -29.096 17.189 8.290 1.00 0.00 +ATOM 2602 CB ASN 170 -29.890 18.716 9.472 1.00 0.00 C +ATOM 2603 HB1 ASN 170 -30.854 18.691 9.207 1.00 0.00 +ATOM 2604 HB2 ASN 170 -29.815 18.984 10.433 1.00 0.00 +ATOM 2605 CG ASN 170 -29.151 19.730 8.604 1.00 0.00 C +ATOM 2606 OD1 ASN 170 -27.943 19.917 8.731 1.00 0.00 O +ATOM 2607 ND2 ASN 170 -29.896 20.400 7.684 1.00 0.00 N +ATOM 2608 HD21 ASN 170 -30.876 20.216 7.604 1.00 0.00 +ATOM 2609 HD22 ASN 170 -29.464 21.077 7.088 1.00 0.00 +ATOM 2610 C ASN 170 -28.036 17.230 10.125 1.00 0.00 C +ATOM 2611 O ASN 170 -28.100 16.752 11.255 1.00 0.00 O +ATOM 2612 N TRP 171 -26.883 17.685 9.609 1.00 0.00 N +ATOM 2613 HN TRP 171 -26.896 18.119 8.708 1.00 0.00 +ATOM 2614 CA TRP 171 -25.631 17.571 10.306 1.00 0.00 C +ATOM 2615 HA TRP 171 -25.732 16.763 10.887 1.00 0.00 +ATOM 2616 CB TRP 171 -24.485 17.436 9.290 1.00 0.00 C +ATOM 2617 HB1 TRP 171 -23.611 17.533 9.766 1.00 0.00 +ATOM 2618 HB2 TRP 171 -24.532 16.534 8.860 1.00 0.00 +ATOM 2619 CG TRP 171 -24.560 18.489 8.205 1.00 0.00 C +ATOM 2620 CD1 TRP 171 -23.897 19.678 8.102 1.00 0.00 C +ATOM 2621 HD1 TRP 171 -23.224 20.018 8.759 1.00 0.00 +ATOM 2622 NE1 TRP 171 -24.291 20.338 6.963 1.00 0.00 N +ATOM 2623 HE1 TRP 171 -23.954 21.230 6.661 1.00 0.00 +ATOM 2624 CE2 TRP 171 -25.227 19.570 6.305 1.00 0.00 C +ATOM 2625 CD2 TRP 171 -25.420 18.405 7.051 1.00 0.00 C +ATOM 2626 CE3 TRP 171 -26.295 17.438 6.644 1.00 0.00 C +ATOM 2627 HE3 TRP 171 -26.429 16.603 7.177 1.00 0.00 +ATOM 2628 CZ3 TRP 171 -26.987 17.656 5.470 1.00 0.00 C +ATOM 2629 HZ3 TRP 171 -27.638 16.968 5.148 1.00 0.00 +ATOM 2630 CZ2 TRP 171 -25.911 19.779 5.141 1.00 0.00 C +ATOM 2631 HZ2 TRP 171 -25.773 20.611 4.603 1.00 0.00 +ATOM 2632 CH2 TRP 171 -26.796 18.807 4.733 1.00 0.00 C +ATOM 2633 HH2 TRP 171 -27.311 18.937 3.886 1.00 0.00 +ATOM 2634 C TRP 171 -25.375 18.788 11.159 1.00 0.00 C +ATOM 2635 O TRP 171 -25.334 19.910 10.658 1.00 0.00 O +ATOM 2636 N ALA 172 -25.292 18.594 12.499 1.00 0.00 N +ATOM 2637 HN ALA 172 -25.443 17.673 12.858 1.00 0.00 +ATOM 2638 CA ALA 172 -24.995 19.657 13.430 1.00 0.00 C +ATOM 2639 HA ALA 172 -25.565 20.392 13.062 1.00 0.00 +ATOM 2640 CB ALA 172 -25.359 19.286 14.876 1.00 0.00 C +ATOM 2641 HB1 ALA 172 -25.136 20.050 15.482 1.00 0.00 +ATOM 2642 HB2 ALA 172 -26.338 19.089 14.933 1.00 0.00 +ATOM 2643 HB3 ALA 172 -24.840 18.478 15.154 1.00 0.00 +ATOM 2644 C ALA 172 -23.544 20.072 13.425 1.00 0.00 C +ATOM 2645 O ALA 172 -23.221 21.247 13.250 1.00 0.00 O +ATOM 2646 N THR 173 -22.625 19.092 13.558 1.00 0.00 N +ATOM 2647 HN THR 173 -22.935 18.141 13.570 1.00 0.00 +ATOM 2648 CA THR 173 -21.213 19.363 13.684 1.00 0.00 C +ATOM 2649 HA THR 173 -21.094 20.146 14.295 1.00 0.00 +ATOM 2650 CB THR 173 -20.460 18.169 14.185 1.00 0.00 C +ATOM 2651 HB THR 173 -20.580 17.397 13.561 1.00 0.00 +ATOM 2652 OG1 THR 173 -21.008 17.723 15.410 1.00 0.00 O +ATOM 2653 HG1 THR 173 -20.497 16.927 15.733 1.00 0.00 +ATOM 2654 CG2 THR 173 -18.984 18.549 14.373 1.00 0.00 C +ATOM 2655 HG21 THR 173 -18.476 17.756 14.708 1.00 0.00 +ATOM 2656 HG22 THR 173 -18.602 18.845 13.498 1.00 0.00 +ATOM 2657 HG23 THR 173 -18.913 19.294 15.036 1.00 0.00 +ATOM 2658 C THR 173 -20.752 19.525 12.292 1.00 0.00 C +ATOM 2659 O THR 173 -20.474 18.534 11.617 1.00 0.00 O +ATOM 2660 N ARG 174 -20.585 20.782 11.858 1.00 0.00 N +ATOM 2661 HN ARG 174 -20.573 21.550 12.498 1.00 0.00 +ATOM 2662 CA ARG 174 -20.425 20.991 10.455 1.00 0.00 C +ATOM 2663 HA ARG 174 -20.947 20.227 10.075 1.00 0.00 +ATOM 2664 CB ARG 174 -21.000 22.365 10.035 1.00 0.00 C +ATOM 2665 HB1 ARG 174 -21.809 22.549 10.594 1.00 0.00 +ATOM 2666 HB2 ARG 174 -20.306 23.062 10.214 1.00 0.00 +ATOM 2667 CG ARG 174 -21.412 22.482 8.563 1.00 0.00 C +ATOM 2668 HG1 ARG 174 -20.588 22.617 8.013 1.00 0.00 +ATOM 2669 HG2 ARG 174 -21.859 21.630 8.290 1.00 0.00 +ATOM 2670 CD ARG 174 -22.375 23.647 8.293 1.00 0.00 C +ATOM 2671 HD1 ARG 174 -21.995 24.503 8.642 1.00 0.00 +ATOM 2672 HD2 ARG 174 -22.551 23.736 7.313 1.00 0.00 +ATOM 2673 NE ARG 174 -23.656 23.345 9.003 1.00 0.00 N +ATOM 2674 HE ARG 174 -23.662 23.312 10.002 1.00 0.00 +ATOM 2675 CZ ARG 174 -24.820 23.113 8.324 1.00 0.00 C +ATOM 2676 NH1 ARG 174 -24.870 23.259 6.967 1.00 0.00 N +ATOM 2677 HH11 ARG 174 -24.052 23.537 6.464 1.00 0.00 +ATOM 2678 HH12 ARG 174 -25.725 23.088 6.477 1.00 0.00 +ATOM 2679 NH2 ARG 174 -25.937 22.730 9.010 1.00 0.00 N +ATOM 2680 HH21 ARG 174 -25.901 22.621 10.003 1.00 0.00 +ATOM 2681 HH22 ARG 174 -26.791 22.559 8.519 1.00 0.00 +ATOM 2682 C ARG 174 -19.003 20.832 9.972 1.00 0.00 C +ATOM 2683 O ARG 174 -18.106 21.599 10.302 1.00 0.00 O +ATOM 2684 N LYS 175 -18.768 19.796 9.147 1.00 0.00 N +ATOM 2685 HN LYS 175 -19.518 19.156 8.979 1.00 0.00 +ATOM 2686 CA LYS 175 -17.514 19.544 8.489 1.00 0.00 C +ATOM 2687 HA LYS 175 -16.823 20.189 8.816 1.00 0.00 +ATOM 2688 CB LYS 175 -16.987 18.122 8.756 1.00 0.00 C +ATOM 2689 HB1 LYS 175 -17.709 17.468 8.531 1.00 0.00 +ATOM 2690 HB2 LYS 175 -16.196 17.961 8.166 1.00 0.00 +ATOM 2691 CG LYS 175 -16.560 17.883 10.206 1.00 0.00 C +ATOM 2692 HG1 LYS 175 -15.742 18.427 10.391 1.00 0.00 +ATOM 2693 HG2 LYS 175 -17.300 18.179 10.810 1.00 0.00 +ATOM 2694 CD LYS 175 -16.247 16.417 10.503 1.00 0.00 C +ATOM 2695 HD1 LYS 175 -17.076 15.880 10.343 1.00 0.00 +ATOM 2696 HD2 LYS 175 -15.529 16.116 9.876 1.00 0.00 +ATOM 2697 CE LYS 175 -15.775 16.160 11.936 1.00 0.00 C +ATOM 2698 HE1 LYS 175 -15.116 15.408 11.949 1.00 0.00 +ATOM 2699 HE2 LYS 175 -15.347 16.984 12.308 1.00 0.00 +ATOM 2700 NZ LYS 175 -16.918 15.796 12.798 1.00 0.00 N +ATOM 2701 HZ1 LYS 175 -16.594 15.631 13.730 1.00 0.00 +ATOM 2702 HZ2 LYS 175 -17.583 16.543 12.803 1.00 0.00 +ATOM 2703 HZ3 LYS 175 -17.351 14.967 12.445 1.00 0.00 +ATOM 2704 C LYS 175 -17.903 19.672 7.036 1.00 0.00 C +ATOM 2705 O LYS 175 -18.638 20.608 6.720 1.00 0.00 O +ATOM 2706 N PRO 176 -17.452 18.901 6.086 1.00 0.00 N +ATOM 2707 CD PRO 176 -16.033 18.631 5.942 1.00 0.00 C +ATOM 2708 HD1 PRO 176 -15.717 18.057 6.698 1.00 0.00 +ATOM 2709 HD2 PRO 176 -15.521 19.490 5.939 1.00 0.00 +ATOM 2710 CA PRO 176 -18.087 19.025 4.789 1.00 0.00 C +ATOM 2711 HA PRO 176 -18.312 19.975 4.573 1.00 0.00 +ATOM 2712 CB PRO 176 -17.078 18.520 3.759 1.00 0.00 C +ATOM 2713 HB1 PRO 176 -17.497 17.831 3.168 1.00 0.00 +ATOM 2714 HB2 PRO 176 -16.740 19.277 3.201 1.00 0.00 +ATOM 2715 CG PRO 176 -15.938 17.904 4.593 1.00 0.00 C +ATOM 2716 HG1 PRO 176 -16.073 16.920 4.710 1.00 0.00 +ATOM 2717 HG2 PRO 176 -15.051 18.070 4.162 1.00 0.00 +ATOM 2718 C PRO 176 -19.404 18.272 4.836 1.00 0.00 C +ATOM 2719 O PRO 176 -19.466 17.260 5.532 1.00 0.00 O +ATOM 2720 N PRO 177 -20.425 18.727 4.135 1.00 0.00 N +ATOM 2721 CD PRO 177 -20.526 20.161 3.929 1.00 0.00 C +ATOM 2722 HD1 PRO 177 -19.837 20.453 3.266 1.00 0.00 +ATOM 2723 HD2 PRO 177 -20.375 20.635 4.797 1.00 0.00 +ATOM 2724 CA PRO 177 -21.744 18.112 4.221 1.00 0.00 C +ATOM 2725 HA PRO 177 -21.731 17.670 5.118 1.00 0.00 +ATOM 2726 CB PRO 177 -22.754 19.250 4.035 1.00 0.00 C +ATOM 2727 HB1 PRO 177 -23.497 18.965 3.429 1.00 0.00 +ATOM 2728 HB2 PRO 177 -23.132 19.532 4.917 1.00 0.00 +ATOM 2729 CG PRO 177 -21.948 20.392 3.402 1.00 0.00 C +ATOM 2730 HG1 PRO 177 -21.973 20.337 2.404 1.00 0.00 +ATOM 2731 HG2 PRO 177 -22.298 21.282 3.695 1.00 0.00 +ATOM 2732 C PRO 177 -22.069 16.908 3.380 1.00 0.00 C +ATOM 2733 O PRO 177 -21.349 16.610 2.429 1.00 0.00 O +ATOM 2734 N ALA 178 -23.166 16.192 3.744 1.00 0.00 N +ATOM 2735 HN ALA 178 -23.663 16.460 4.569 1.00 0.00 +ATOM 2736 CA ALA 178 -23.642 15.060 2.986 1.00 0.00 C +ATOM 2737 HA ALA 178 -22.826 14.512 2.802 1.00 0.00 +ATOM 2738 CB ALA 178 -24.671 14.197 3.736 1.00 0.00 C +ATOM 2739 HB1 ALA 178 -24.955 13.435 3.154 1.00 0.00 +ATOM 2740 HB2 ALA 178 -24.259 13.840 4.574 1.00 0.00 +ATOM 2741 HB3 ALA 178 -25.468 14.755 3.968 1.00 0.00 +ATOM 2742 C ALA 178 -24.297 15.603 1.750 1.00 0.00 C +ATOM 2743 O ALA 178 -24.942 16.653 1.790 1.00 0.00 O +ATOM 2744 N PRO 179 -24.152 14.883 0.664 1.00 0.00 N +ATOM 2745 CD PRO 179 -23.069 13.917 0.573 1.00 0.00 C +ATOM 2746 HD1 PRO 179 -23.213 13.187 1.241 1.00 0.00 +ATOM 2747 HD2 PRO 179 -22.197 14.371 0.758 1.00 0.00 +ATOM 2748 CA PRO 179 -24.582 15.325 -0.649 1.00 0.00 C +ATOM 2749 HA PRO 179 -24.466 16.315 -0.572 1.00 0.00 +ATOM 2750 CB PRO 179 -23.717 14.567 -1.662 1.00 0.00 C +ATOM 2751 HB1 PRO 179 -24.273 14.240 -2.426 1.00 0.00 +ATOM 2752 HB2 PRO 179 -22.985 15.153 -2.009 1.00 0.00 +ATOM 2753 CG PRO 179 -23.139 13.388 -0.869 1.00 0.00 C +ATOM 2754 HG1 PRO 179 -23.740 12.591 -0.928 1.00 0.00 +ATOM 2755 HG2 PRO 179 -22.229 13.145 -1.205 1.00 0.00 +ATOM 2756 C PRO 179 -26.023 15.275 -1.046 1.00 0.00 C +ATOM 2757 O PRO 179 -26.792 14.533 -0.436 1.00 0.00 O +ATOM 2758 N LYS 180 -26.378 16.077 -2.084 1.00 0.00 N +ATOM 2759 HN LYS 180 -25.664 16.664 -2.466 1.00 0.00 +ATOM 2760 CA LYS 180 -27.684 16.163 -2.687 1.00 0.00 C +ATOM 2761 HA LYS 180 -28.086 15.252 -2.590 1.00 0.00 +ATOM 2762 CB LYS 180 -28.600 17.204 -2.023 1.00 0.00 C +ATOM 2763 HB1 LYS 180 -28.211 18.113 -2.171 1.00 0.00 +ATOM 2764 HB2 LYS 180 -29.503 17.154 -2.450 1.00 0.00 +ATOM 2765 CG LYS 180 -28.763 16.985 -0.515 1.00 0.00 C +ATOM 2766 HG1 LYS 180 -27.871 17.112 -0.082 1.00 0.00 +ATOM 2767 HG2 LYS 180 -29.403 17.670 -0.167 1.00 0.00 +ATOM 2768 CD LYS 180 -29.288 15.601 -0.127 1.00 0.00 C +ATOM 2769 HD1 LYS 180 -30.272 15.572 -0.302 1.00 0.00 +ATOM 2770 HD2 LYS 180 -28.828 14.915 -0.691 1.00 0.00 +ATOM 2771 CE LYS 180 -29.041 15.269 1.350 1.00 0.00 C +ATOM 2772 HE1 LYS 180 -28.198 15.708 1.661 1.00 0.00 +ATOM 2773 HE2 LYS 180 -29.809 15.592 1.904 1.00 0.00 +ATOM 2774 NZ LYS 180 -28.906 13.807 1.545 1.00 0.00 N +ATOM 2775 HZ1 LYS 180 -28.746 13.613 2.513 1.00 0.00 +ATOM 2776 HZ2 LYS 180 -29.746 13.352 1.248 1.00 0.00 +ATOM 2777 HZ3 LYS 180 -28.135 13.468 1.005 1.00 0.00 +ATOM 2778 C LYS 180 -27.453 16.615 -4.104 1.00 0.00 C +ATOM 2779 O LYS 180 -26.309 16.787 -4.523 1.00 0.00 O +ATOM 2780 N SER 181 -28.519 16.811 -4.907 1.00 0.00 N +ATOM 2781 HN SER 181 -29.455 16.655 -4.590 1.00 0.00 +ATOM 2782 CA SER 181 -28.234 17.256 -6.242 1.00 0.00 C +ATOM 2783 HA SER 181 -27.386 16.787 -6.489 1.00 0.00 +ATOM 2784 CB SER 181 -29.326 16.916 -7.270 1.00 0.00 C +ATOM 2785 HB1 SER 181 -30.220 17.243 -6.965 1.00 0.00 +ATOM 2786 HB2 SER 181 -29.113 17.311 -8.164 1.00 0.00 +ATOM 2787 OG SER 181 -29.410 15.508 -7.428 1.00 0.00 O +ATOM 2788 HG1 SER 181 -30.121 15.289 -8.097 1.00 0.00 +ATOM 2789 C SER 181 -28.111 18.734 -6.184 1.00 0.00 C +ATOM 2790 O SER 181 -29.020 19.479 -6.547 1.00 0.00 O +ATOM 2791 N THR 182 -26.945 19.183 -5.702 1.00 0.00 N +ATOM 2792 HN THR 182 -26.251 18.521 -5.419 1.00 0.00 +ATOM 2793 CA THR 182 -26.664 20.569 -5.580 1.00 0.00 C +ATOM 2794 HA THR 182 -27.454 20.991 -5.135 1.00 0.00 +ATOM 2795 CB THR 182 -25.431 20.761 -4.739 1.00 0.00 C +ATOM 2796 HB THR 182 -25.599 20.441 -3.807 1.00 0.00 +ATOM 2797 OG1 THR 182 -25.159 22.140 -4.586 1.00 0.00 O +ATOM 2798 HG1 THR 182 -24.339 22.258 -4.026 1.00 0.00 +ATOM 2799 CG2 THR 182 -24.233 20.025 -5.363 1.00 0.00 C +ATOM 2800 HG21 THR 182 -23.423 20.163 -4.793 1.00 0.00 +ATOM 2801 HG22 THR 182 -24.436 19.048 -5.423 1.00 0.00 +ATOM 2802 HG23 THR 182 -24.060 20.386 -6.279 1.00 0.00 +ATOM 2803 C THR 182 -26.493 21.163 -6.931 1.00 0.00 C +ATOM 2804 O THR 182 -27.057 22.208 -7.242 1.00 0.00 O +ATOM 2805 N TYR 183 -25.731 20.509 -7.815 1.00 0.00 N +ATOM 2806 HN TYR 183 -25.313 19.622 -7.620 1.00 0.00 +ATOM 2807 CA TYR 183 -25.566 21.186 -9.061 1.00 0.00 C +ATOM 2808 HA TYR 183 -26.335 21.825 -9.053 1.00 0.00 +ATOM 2809 CB TYR 183 -24.213 21.910 -9.172 1.00 0.00 C +ATOM 2810 HB1 TYR 183 -23.482 21.340 -8.797 1.00 0.00 +ATOM 2811 HB2 TYR 183 -24.011 22.126 -10.127 1.00 0.00 +ATOM 2812 CG TYR 183 -24.294 23.179 -8.390 1.00 0.00 C +ATOM 2813 CD1 TYR 183 -24.023 23.228 -7.041 1.00 0.00 C +ATOM 2814 HD1 TYR 183 -23.762 22.394 -6.556 1.00 0.00 +ATOM 2815 CE1 TYR 183 -24.110 24.421 -6.356 1.00 0.00 C +ATOM 2816 HE1 TYR 183 -23.906 24.450 -5.378 1.00 0.00 +ATOM 2817 CZ TYR 183 -24.477 25.572 -7.014 1.00 0.00 C +ATOM 2818 OH TYR 183 -24.568 26.798 -6.319 1.00 0.00 O +ATOM 2819 HH TYR 183 -24.846 27.520 -6.952 1.00 0.00 +ATOM 2820 CD2 TYR 183 -24.666 24.336 -9.036 1.00 0.00 C +ATOM 2821 HD2 TYR 183 -24.875 24.309 -10.014 1.00 0.00 +ATOM 2822 CE2 TYR 183 -24.755 25.527 -8.358 1.00 0.00 C +ATOM 2823 HE2 TYR 183 -25.022 26.360 -8.842 1.00 0.00 +ATOM 2824 C TYR 183 -25.683 20.249 -10.207 1.00 0.00 C +ATOM 2825 O TYR 183 -25.455 19.047 -10.079 1.00 0.00 O +ATOM 2826 N GLU 184 -26.084 20.826 -11.358 1.00 0.00 N +ATOM 2827 HN GLU 184 -26.393 21.776 -11.309 1.00 0.00 +ATOM 2828 CA GLU 184 -26.106 20.199 -12.643 1.00 0.00 C +ATOM 2829 HA GLU 184 -26.207 20.953 -13.292 1.00 0.00 +ATOM 2830 CB GLU 184 -24.803 19.415 -12.898 1.00 0.00 C +ATOM 2831 HB1 GLU 184 -24.129 19.696 -12.215 1.00 0.00 +ATOM 2832 HB2 GLU 184 -24.998 18.440 -12.793 1.00 0.00 +ATOM 2833 CG GLU 184 -24.187 19.626 -14.282 1.00 0.00 C +ATOM 2834 HG1 GLU 184 -23.837 20.560 -14.355 1.00 0.00 +ATOM 2835 HG2 GLU 184 -23.438 18.978 -14.419 1.00 0.00 +ATOM 2836 CD GLU 184 -25.238 19.404 -15.347 1.00 0.00 C +ATOM 2837 OE1 GLU 184 -25.501 18.215 -15.645 1.00 0.00 O +ATOM 2838 OE2 GLU 184 -25.785 20.396 -15.885 1.00 0.00 O +ATOM 2839 C GLU 184 -27.288 19.290 -12.755 1.00 0.00 C +ATOM 2840 O GLU 184 -27.577 18.514 -11.847 1.00 0.00 O +ATOM 2841 N SER 185 -28.030 19.439 -13.874 1.00 0.00 N +ATOM 2842 HN SER 185 -27.741 20.141 -14.525 1.00 0.00 +ATOM 2843 CA SER 185 -29.199 18.673 -14.207 1.00 0.00 C +ATOM 2844 HA SER 185 -29.776 18.729 -13.392 1.00 0.00 +ATOM 2845 CB SER 185 -29.878 19.253 -15.448 1.00 0.00 C +ATOM 2846 HB1 SER 185 -29.313 19.124 -16.263 1.00 0.00 +ATOM 2847 HB2 SER 185 -30.776 18.839 -15.596 1.00 0.00 +ATOM 2848 OG SER 185 -30.058 20.646 -15.248 1.00 0.00 O +ATOM 2849 HG1 SER 185 -30.502 21.043 -16.051 1.00 0.00 +ATOM 2850 C SER 185 -28.838 17.244 -14.500 1.00 0.00 C +ATOM 2851 O SER 185 -28.934 16.369 -13.643 1.00 0.00 O +ATOM 2852 N ASN 186 -28.410 16.940 -15.741 1.00 0.00 N +ATOM 2853 HN ASN 186 -28.352 17.617 -16.475 1.00 0.00 +ATOM 2854 CA ASN 186 -28.045 15.565 -15.923 1.00 0.00 C +ATOM 2855 HA ASN 186 -27.720 15.318 -15.010 1.00 0.00 +ATOM 2856 CB ASN 186 -29.200 14.654 -16.362 1.00 0.00 C +ATOM 2857 HB1 ASN 186 -29.999 14.802 -15.779 1.00 0.00 +ATOM 2858 HB2 ASN 186 -29.443 14.837 -17.314 1.00 0.00 +ATOM 2859 CG ASN 186 -28.703 13.219 -16.215 1.00 0.00 C +ATOM 2860 OD1 ASN 186 -27.876 12.740 -16.989 1.00 0.00 O +ATOM 2861 ND2 ASN 186 -29.208 12.516 -15.168 1.00 0.00 N +ATOM 2862 HD21 ASN 186 -29.866 12.945 -14.549 1.00 0.00 +ATOM 2863 HD22 ASN 186 -28.922 11.570 -15.017 1.00 0.00 +ATOM 2864 C ASN 186 -26.985 15.450 -16.957 1.00 0.00 C +ATOM 2865 O ASN 186 -27.206 14.955 -18.055 1.00 0.00 O +ATOM 2866 N THR 187 -25.756 15.849 -16.647 1.00 0.00 N +ATOM 2867 HN THR 187 -25.523 16.239 -15.756 1.00 0.00 +ATOM 2868 CA THR 187 -24.799 15.677 -17.684 1.00 0.00 C +ATOM 2869 HA THR 187 -25.290 15.229 -18.431 1.00 0.00 +ATOM 2870 CB THR 187 -24.217 16.954 -18.231 1.00 0.00 C +ATOM 2871 HB THR 187 -23.786 17.489 -17.504 1.00 0.00 +ATOM 2872 OG1 THR 187 -25.247 17.796 -18.729 1.00 0.00 O +ATOM 2873 HG1 THR 187 -24.845 18.638 -19.088 1.00 0.00 +ATOM 2874 CG2 THR 187 -23.255 16.583 -19.376 1.00 0.00 C +ATOM 2875 HG21 THR 187 -22.854 17.416 -19.757 1.00 0.00 +ATOM 2876 HG22 THR 187 -22.528 15.994 -19.023 1.00 0.00 +ATOM 2877 HG23 THR 187 -23.759 16.098 -20.091 1.00 0.00 +ATOM 2878 C THR 187 -23.693 14.895 -17.061 1.00 0.00 C +ATOM 2879 O THR 187 -23.382 15.062 -15.884 1.00 0.00 O +ATOM 2880 N LYS 188 -23.071 13.977 -17.813 1.00 0.00 N +ATOM 2881 HN LYS 188 -23.337 13.811 -18.763 1.00 0.00 +ATOM 2882 CA LYS 188 -22.005 13.242 -17.192 1.00 0.00 C +ATOM 2883 HA LYS 188 -22.207 13.269 -16.213 1.00 0.00 +ATOM 2884 CB LYS 188 -21.914 11.796 -17.692 1.00 0.00 C +ATOM 2885 HB1 LYS 188 -22.222 11.771 -18.643 1.00 0.00 +ATOM 2886 HB2 LYS 188 -20.959 11.505 -17.643 1.00 0.00 +ATOM 2887 CG LYS 188 -22.757 10.806 -16.891 1.00 0.00 C +ATOM 2888 HG1 LYS 188 -22.776 9.939 -17.389 1.00 0.00 +ATOM 2889 HG2 LYS 188 -22.317 10.670 -16.003 1.00 0.00 +ATOM 2890 CD LYS 188 -24.197 11.240 -16.643 1.00 0.00 C +ATOM 2891 HD1 LYS 188 -24.366 12.104 -17.118 1.00 0.00 +ATOM 2892 HD2 LYS 188 -24.817 10.539 -16.996 1.00 0.00 +ATOM 2893 CE LYS 188 -24.443 11.428 -15.143 1.00 0.00 C +ATOM 2894 HE1 LYS 188 -24.572 10.537 -14.707 1.00 0.00 +ATOM 2895 HE2 LYS 188 -23.661 11.892 -14.728 1.00 0.00 +ATOM 2896 NZ LYS 188 -25.649 12.243 -14.893 1.00 0.00 N +ATOM 2897 HZ1 LYS 188 -25.782 12.347 -13.907 1.00 0.00 +ATOM 2898 HZ2 LYS 188 -25.535 13.144 -15.311 1.00 0.00 +ATOM 2899 HZ3 LYS 188 -26.446 11.789 -15.291 1.00 0.00 +ATOM 2900 C LYS 188 -20.727 13.912 -17.536 1.00 0.00 C +ATOM 2901 O LYS 188 -20.369 14.059 -18.704 1.00 0.00 O +ATOM 2902 N GLN 189 -20.012 14.329 -16.479 1.00 0.00 N +ATOM 2903 HN GLN 189 -20.374 14.149 -15.564 1.00 0.00 +ATOM 2904 CA GLN 189 -18.762 15.017 -16.587 1.00 0.00 C +ATOM 2905 HA GLN 189 -18.258 14.564 -17.322 1.00 0.00 +ATOM 2906 CB GLN 189 -18.926 16.530 -16.806 1.00 0.00 C +ATOM 2907 HB1 GLN 189 -19.386 16.908 -16.003 1.00 0.00 +ATOM 2908 HB2 GLN 189 -18.013 16.929 -16.886 1.00 0.00 +ATOM 2909 CG GLN 189 -19.722 16.960 -18.034 1.00 0.00 C +ATOM 2910 HG1 GLN 189 -19.162 16.874 -18.858 1.00 0.00 +ATOM 2911 HG2 GLN 189 -20.543 16.398 -18.129 1.00 0.00 +ATOM 2912 CD GLN 189 -20.104 18.417 -17.806 1.00 0.00 C +ATOM 2913 OE1 GLN 189 -19.298 19.222 -17.341 1.00 0.00 O +ATOM 2914 NE2 GLN 189 -21.386 18.759 -18.100 1.00 0.00 N +ATOM 2915 HE21 GLN 189 -22.021 18.068 -18.446 1.00 0.00 +ATOM 2916 HE22 GLN 189 -21.694 19.701 -17.970 1.00 0.00 +ATOM 2917 C GLN 189 -18.216 14.971 -15.211 1.00 0.00 C +ATOM 2918 O GLN 189 -18.604 14.143 -14.396 1.00 0.00 O +ATOM 2919 N LEU 190 -17.299 15.913 -14.951 1.00 0.00 N +ATOM 2920 HN LEU 190 -16.960 16.451 -15.723 1.00 0.00 +ATOM 2921 CA LEU 190 -16.769 16.209 -13.662 1.00 0.00 C +ATOM 2922 HA LEU 190 -16.496 15.311 -13.316 1.00 0.00 +ATOM 2923 CB LEU 190 -15.492 17.047 -13.616 1.00 0.00 C +ATOM 2924 HB1 LEU 190 -15.492 17.691 -14.381 1.00 0.00 +ATOM 2925 HB2 LEU 190 -15.460 17.553 -12.754 1.00 0.00 +ATOM 2926 CG LEU 190 -14.265 16.126 -13.718 1.00 0.00 C +ATOM 2927 HG LEU 190 -13.446 16.698 -13.766 1.00 0.00 +ATOM 2928 CD1 LEU 190 -14.156 15.238 -12.465 1.00 0.00 C +ATOM 2929 HD11 LEU 190 -13.355 14.645 -12.545 1.00 0.00 +ATOM 2930 HD12 LEU 190 -14.063 15.816 -11.654 1.00 0.00 +ATOM 2931 HD13 LEU 190 -14.979 14.676 -12.382 1.00 0.00 +ATOM 2932 CD2 LEU 190 -14.289 15.295 -15.006 1.00 0.00 C +ATOM 2933 HD21 LEU 190 -13.479 14.709 -15.040 1.00 0.00 +ATOM 2934 HD22 LEU 190 -15.112 14.727 -15.021 1.00 0.00 +ATOM 2935 HD23 LEU 190 -14.291 15.907 -15.797 1.00 0.00 +ATOM 2936 C LEU 190 -17.861 16.802 -12.857 1.00 0.00 C +ATOM 2937 O LEU 190 -17.608 17.193 -11.726 1.00 0.00 O +ATOM 2938 N SER 191 -19.042 17.031 -13.472 1.00 0.00 N +ATOM 2939 HN SER 191 -19.100 16.968 -14.468 1.00 0.00 +ATOM 2940 CA SER 191 -20.200 17.359 -12.724 1.00 0.00 C +ATOM 2941 HA SER 191 -19.983 18.200 -12.228 1.00 0.00 +ATOM 2942 CB SER 191 -21.441 17.565 -13.605 1.00 0.00 C +ATOM 2943 HB1 SER 191 -21.603 16.767 -14.185 1.00 0.00 +ATOM 2944 HB2 SER 191 -22.251 17.741 -13.045 1.00 0.00 +ATOM 2945 OG SER 191 -21.257 18.684 -14.457 1.00 0.00 O +ATOM 2946 HG1 SER 191 -22.071 18.808 -15.025 1.00 0.00 +ATOM 2947 C SER 191 -20.464 16.139 -11.886 1.00 0.00 C +ATOM 2948 O SER 191 -21.150 16.192 -10.867 1.00 0.00 O +ATOM 2949 N TYR 192 -19.933 14.983 -12.319 1.00 0.00 N +ATOM 2950 HN TYR 192 -19.473 14.955 -13.206 1.00 0.00 +ATOM 2951 CA TYR 192 -20.015 13.793 -11.533 1.00 0.00 C +ATOM 2952 HA TYR 192 -20.969 13.542 -11.372 1.00 0.00 +ATOM 2953 CB TYR 192 -19.321 12.612 -12.233 1.00 0.00 C +ATOM 2954 HB1 TYR 192 -19.657 12.510 -13.169 1.00 0.00 +ATOM 2955 HB2 TYR 192 -18.330 12.742 -12.247 1.00 0.00 +ATOM 2956 CG TYR 192 -19.644 11.388 -11.460 1.00 0.00 C +ATOM 2957 CD1 TYR 192 -20.944 10.944 -11.403 1.00 0.00 C +ATOM 2958 HD1 TYR 192 -21.661 11.451 -11.881 1.00 0.00 +ATOM 2959 CE1 TYR 192 -21.269 9.813 -10.697 1.00 0.00 C +ATOM 2960 HE1 TYR 192 -22.219 9.503 -10.655 1.00 0.00 +ATOM 2961 CZ TYR 192 -20.287 9.109 -10.049 1.00 0.00 C +ATOM 2962 OH TYR 192 -20.618 7.947 -9.321 1.00 0.00 O +ATOM 2963 HH TYR 192 -19.790 7.561 -8.915 1.00 0.00 +ATOM 2964 CD2 TYR 192 -18.660 10.669 -10.826 1.00 0.00 C +ATOM 2965 HD2 TYR 192 -17.708 10.970 -10.878 1.00 0.00 +ATOM 2966 CE2 TYR 192 -18.985 9.536 -10.121 1.00 0.00 C +ATOM 2967 HE2 TYR 192 -18.267 9.018 -9.656 1.00 0.00 +ATOM 2968 C TYR 192 -19.272 14.184 -10.304 1.00 0.00 C +ATOM 2969 O TYR 192 -19.670 13.874 -9.182 1.00 0.00 O +ATOM 2970 N ASP 193 -18.150 14.895 -10.520 1.00 0.00 N +ATOM 2971 HN ASP 193 -17.835 15.025 -11.460 1.00 0.00 +ATOM 2972 CA ASP 193 -17.392 15.471 -9.452 1.00 0.00 C +ATOM 2973 HA ASP 193 -17.265 14.710 -8.816 1.00 0.00 +ATOM 2974 CB ASP 193 -16.003 15.997 -9.880 1.00 0.00 C +ATOM 2975 HB1 ASP 193 -15.441 15.241 -10.214 1.00 0.00 +ATOM 2976 HB2 ASP 193 -16.106 16.681 -10.603 1.00 0.00 +ATOM 2977 CG ASP 193 -15.322 16.635 -8.681 1.00 0.00 C +ATOM 2978 OD1 ASP 193 -15.687 17.794 -8.351 1.00 0.00 O +ATOM 2979 OD2 ASP 193 -14.416 15.982 -8.097 1.00 0.00 O +ATOM 2980 C ASP 193 -18.202 16.593 -8.851 1.00 0.00 C +ATOM 2981 O ASP 193 -18.010 16.947 -7.699 1.00 0.00 O +ATOM 2982 N GLU 194 -19.109 17.223 -9.623 1.00 0.00 N +ATOM 2983 HN GLU 194 -19.224 16.919 -10.569 1.00 0.00 +ATOM 2984 CA GLU 194 -19.921 18.315 -9.147 1.00 0.00 C +ATOM 2985 HA GLU 194 -19.296 19.015 -8.802 1.00 0.00 +ATOM 2986 CB GLU 194 -20.807 18.868 -10.280 1.00 0.00 C +ATOM 2987 HB1 GLU 194 -20.241 18.923 -11.103 1.00 0.00 +ATOM 2988 HB2 GLU 194 -21.547 18.212 -10.428 1.00 0.00 +ATOM 2989 CG GLU 194 -21.456 20.239 -10.092 1.00 0.00 C +ATOM 2990 HG1 GLU 194 -22.294 20.164 -9.552 1.00 0.00 +ATOM 2991 HG2 GLU 194 -20.825 20.872 -9.643 1.00 0.00 +ATOM 2992 CD GLU 194 -21.767 20.702 -11.514 1.00 0.00 C +ATOM 2993 OE1 GLU 194 -20.829 20.657 -12.352 1.00 0.00 O +ATOM 2994 OE2 GLU 194 -22.933 21.087 -11.794 1.00 0.00 O +ATOM 2995 C GLU 194 -20.803 17.784 -8.066 1.00 0.00 C +ATOM 2996 O GLU 194 -21.013 18.459 -7.061 1.00 0.00 O +ATOM 2997 N VAL 195 -21.394 16.583 -8.256 1.00 0.00 N +ATOM 2998 HN VAL 195 -21.285 16.075 -9.110 1.00 0.00 +ATOM 2999 CA VAL 195 -22.184 16.073 -7.175 1.00 0.00 C +ATOM 3000 HA VAL 195 -22.755 16.870 -6.977 1.00 0.00 +ATOM 3001 CB VAL 195 -23.064 14.885 -7.489 1.00 0.00 C +ATOM 3002 HB VAL 195 -23.475 14.534 -6.648 1.00 0.00 +ATOM 3003 CG1 VAL 195 -24.198 15.347 -8.410 1.00 0.00 C +ATOM 3004 HG11 VAL 195 -24.789 14.570 -8.626 1.00 0.00 +ATOM 3005 HG12 VAL 195 -24.733 16.055 -7.950 1.00 0.00 +ATOM 3006 HG13 VAL 195 -23.811 15.717 -9.255 1.00 0.00 +ATOM 3007 CG2 VAL 195 -22.227 13.733 -8.074 1.00 0.00 C +ATOM 3008 HG21 VAL 195 -22.824 12.956 -8.276 1.00 0.00 +ATOM 3009 HG22 VAL 195 -21.782 14.039 -8.916 1.00 0.00 +ATOM 3010 HG23 VAL 195 -21.532 13.456 -7.411 1.00 0.00 +ATOM 3011 C VAL 195 -21.317 15.667 -6.050 1.00 0.00 C +ATOM 3012 O VAL 195 -21.488 16.138 -4.930 1.00 0.00 O +ATOM 3013 N VAL 196 -20.309 14.830 -6.331 1.00 0.00 N +ATOM 3014 HN VAL 196 -20.043 14.615 -7.271 1.00 0.00 +ATOM 3015 CA VAL 196 -19.643 14.267 -5.210 1.00 0.00 C +ATOM 3016 HA VAL 196 -20.393 13.868 -4.682 1.00 0.00 +ATOM 3017 CB VAL 196 -18.689 13.182 -5.529 1.00 0.00 C +ATOM 3018 HB VAL 196 -17.941 13.478 -6.123 1.00 0.00 +ATOM 3019 CG1 VAL 196 -18.183 12.767 -4.146 1.00 0.00 C +ATOM 3020 HG11 VAL 196 -17.519 12.025 -4.243 1.00 0.00 +ATOM 3021 HG12 VAL 196 -17.746 13.549 -3.702 1.00 0.00 +ATOM 3022 HG13 VAL 196 -18.953 12.455 -3.589 1.00 0.00 +ATOM 3023 CG2 VAL 196 -19.379 12.061 -6.328 1.00 0.00 C +ATOM 3024 HG21 VAL 196 -18.716 11.340 -6.532 1.00 0.00 +ATOM 3025 HG22 VAL 196 -20.130 11.680 -5.788 1.00 0.00 +ATOM 3026 HG23 VAL 196 -19.739 12.434 -7.183 1.00 0.00 +ATOM 3027 C VAL 196 -18.903 15.336 -4.494 1.00 0.00 C +ATOM 3028 O VAL 196 -18.731 15.306 -3.276 1.00 0.00 O +ATOM 3029 N ASN 197 -18.410 16.324 -5.232 1.00 0.00 N +ATOM 3030 HN ASN 197 -18.578 16.401 -6.215 1.00 0.00 +ATOM 3031 CA ASN 197 -17.628 17.257 -4.515 1.00 0.00 C +ATOM 3032 HA ASN 197 -17.441 16.793 -3.649 1.00 0.00 +ATOM 3033 CB ASN 197 -16.323 17.563 -5.231 1.00 0.00 C +ATOM 3034 HB1 ASN 197 -16.475 17.744 -6.203 1.00 0.00 +ATOM 3035 HB2 ASN 197 -15.855 18.343 -4.816 1.00 0.00 +ATOM 3036 CG ASN 197 -15.541 16.276 -5.024 1.00 0.00 C +ATOM 3037 OD1 ASN 197 -14.774 16.162 -4.071 1.00 0.00 O +ATOM 3038 ND2 ASN 197 -15.746 15.271 -5.916 1.00 0.00 N +ATOM 3039 HD21 ASN 197 -16.390 15.396 -6.670 1.00 0.00 +ATOM 3040 HD22 ASN 197 -15.252 14.407 -5.818 1.00 0.00 +ATOM 3041 C ASN 197 -18.394 18.488 -4.210 1.00 0.00 C +ATOM 3042 O ASN 197 -18.016 19.593 -4.597 1.00 0.00 O +ATOM 3043 N GLN 198 -19.497 18.342 -3.458 1.00 0.00 N +ATOM 3044 HN GLN 198 -19.860 17.449 -3.192 1.00 0.00 +ATOM 3045 CA GLN 198 -20.099 19.559 -3.076 1.00 0.00 C +ATOM 3046 HA GLN 198 -20.282 20.045 -3.930 1.00 0.00 +ATOM 3047 CB GLN 198 -21.401 19.325 -2.291 1.00 0.00 C +ATOM 3048 HB1 GLN 198 -22.080 18.945 -2.919 1.00 0.00 +ATOM 3049 HB2 GLN 198 -21.213 18.665 -1.564 1.00 0.00 +ATOM 3050 CG GLN 198 -22.004 20.573 -1.647 1.00 0.00 C +ATOM 3051 HG1 GLN 198 -21.631 21.394 -2.080 1.00 0.00 +ATOM 3052 HG2 GLN 198 -22.999 20.564 -1.751 1.00 0.00 +ATOM 3053 CD GLN 198 -21.638 20.556 -0.167 1.00 0.00 C +ATOM 3054 OE1 GLN 198 -21.055 19.595 0.333 1.00 0.00 O +ATOM 3055 NE2 GLN 198 -22.019 21.642 0.555 1.00 0.00 N +ATOM 3056 HE21 GLN 198 -22.510 22.391 0.110 1.00 0.00 +ATOM 3057 HE22 GLN 198 -21.809 21.692 1.531 1.00 0.00 +ATOM 3058 C GLN 198 -19.122 20.276 -2.189 1.00 0.00 C +ATOM 3059 O GLN 198 -18.500 21.224 -2.646 1.00 0.00 O +ATOM 3060 N SER 199 -18.817 19.696 -1.001 1.00 0.00 N +ATOM 3061 HN SER 199 -19.221 18.792 -0.863 1.00 0.00 +ATOM 3062 CA SER 199 -18.002 20.169 0.104 1.00 0.00 C +ATOM 3063 HA SER 199 -18.507 19.691 0.823 1.00 0.00 +ATOM 3064 CB SER 199 -16.521 19.766 0.028 1.00 0.00 C +ATOM 3065 HB1 SER 199 -16.419 18.772 0.070 1.00 0.00 +ATOM 3066 HB2 SER 199 -16.100 20.110 -0.811 1.00 0.00 +ATOM 3067 OG SER 199 -15.810 20.320 1.126 1.00 0.00 O +ATOM 3068 HG1 SER 199 -14.848 20.053 1.069 1.00 0.00 +ATOM 3069 C SER 199 -18.029 21.649 0.376 1.00 0.00 C +ATOM 3070 O SER 199 -18.205 22.493 -0.499 1.00 0.00 O +ATOM 3071 N SER 200 -17.850 22.007 1.664 1.00 0.00 N +ATOM 3072 HN SER 200 -17.778 21.311 2.378 1.00 0.00 +ATOM 3073 CA SER 200 -17.764 23.400 1.996 1.00 0.00 C +ATOM 3074 HA SER 200 -18.418 23.850 1.388 1.00 0.00 +ATOM 3075 CB SER 200 -18.151 23.742 3.444 1.00 0.00 C +ATOM 3076 HB1 SER 200 -19.043 23.355 3.678 1.00 0.00 +ATOM 3077 HB2 SER 200 -17.463 23.408 4.088 1.00 0.00 +ATOM 3078 OG SER 200 -18.237 25.151 3.593 1.00 0.00 O +ATOM 3079 HG1 SER 200 -18.489 25.372 4.535 1.00 0.00 +ATOM 3080 C SER 200 -16.341 23.798 1.763 1.00 0.00 C +ATOM 3081 O SER 200 -15.463 22.934 1.673 1.00 0.00 O +ATOM 3082 N PRO 201 -16.069 25.071 1.666 1.00 0.00 N +ATOM 3083 CD PRO 201 -17.061 25.991 1.125 1.00 0.00 C +ATOM 3084 HD1 PRO 201 -17.616 26.357 1.872 1.00 0.00 +ATOM 3085 HD2 PRO 201 -17.650 25.503 0.481 1.00 0.00 +ATOM 3086 CA PRO 201 -14.734 25.495 1.343 1.00 0.00 C +ATOM 3087 HA PRO 201 -14.419 24.939 0.574 1.00 0.00 +ATOM 3088 CB PRO 201 -14.843 26.979 1.001 1.00 0.00 C +ATOM 3089 HB1 PRO 201 -14.736 27.543 1.820 1.00 0.00 +ATOM 3090 HB2 PRO 201 -14.155 27.241 0.324 1.00 0.00 +ATOM 3091 CG PRO 201 -16.264 27.101 0.424 1.00 0.00 C +ATOM 3092 HG1 PRO 201 -16.654 27.999 0.630 1.00 0.00 +ATOM 3093 HG2 PRO 201 -16.257 26.959 -0.566 1.00 0.00 +ATOM 3094 C PRO 201 -13.704 25.166 2.372 1.00 0.00 C +ATOM 3095 O PRO 201 -12.518 25.245 2.058 1.00 0.00 O +ATOM 3096 N SER 202 -14.127 24.824 3.598 1.00 0.00 N +ATOM 3097 HN SER 202 -15.112 24.775 3.763 1.00 0.00 +ATOM 3098 CA SER 202 -13.240 24.524 4.686 1.00 0.00 C +ATOM 3099 HA SER 202 -12.635 25.320 4.712 1.00 0.00 +ATOM 3100 CB SER 202 -14.014 24.297 5.995 1.00 0.00 C +ATOM 3101 HB1 SER 202 -14.617 23.503 5.919 1.00 0.00 +ATOM 3102 HB2 SER 202 -13.386 24.166 6.762 1.00 0.00 +ATOM 3103 OG SER 202 -14.824 25.425 6.291 1.00 0.00 O +ATOM 3104 HG1 SER 202 -15.321 25.264 7.144 1.00 0.00 +ATOM 3105 C SER 202 -12.496 23.246 4.426 1.00 0.00 C +ATOM 3106 O SER 202 -11.372 23.077 4.899 1.00 0.00 O +ATOM 3107 N ASN 203 -13.107 22.308 3.677 1.00 0.00 N +ATOM 3108 HN ASN 203 -13.981 22.525 3.243 1.00 0.00 +ATOM 3109 CA ASN 203 -12.535 21.000 3.485 1.00 0.00 C +ATOM 3110 HA ASN 203 -12.151 20.793 4.385 1.00 0.00 +ATOM 3111 CB ASN 203 -13.597 19.982 3.034 1.00 0.00 C +ATOM 3112 HB1 ASN 203 -14.401 20.049 3.625 1.00 0.00 +ATOM 3113 HB2 ASN 203 -13.862 20.168 2.088 1.00 0.00 +ATOM 3114 CG ASN 203 -13.027 18.578 3.125 1.00 0.00 C +ATOM 3115 OD1 ASN 203 -11.953 18.359 3.682 1.00 0.00 O +ATOM 3116 ND2 ASN 203 -13.774 17.593 2.560 1.00 0.00 N +ATOM 3117 HD21 ASN 203 -14.643 17.815 2.119 1.00 0.00 +ATOM 3118 HD22 ASN 203 -13.454 16.646 2.586 1.00 0.00 +ATOM 3119 C ASN 203 -11.460 21.012 2.433 1.00 0.00 C +ATOM 3120 O ASN 203 -11.709 21.333 1.273 1.00 0.00 O +ATOM 3121 N CYS 204 -10.208 20.749 2.867 1.00 0.00 N +ATOM 3122 HN CYS 204 -10.120 20.624 3.855 1.00 0.00 +ATOM 3123 CA CYS 204 -8.977 20.620 2.124 1.00 0.00 C +ATOM 3124 HA CYS 204 -9.166 21.208 1.338 1.00 0.00 +ATOM 3125 CB CYS 204 -7.777 21.062 2.963 1.00 0.00 C +ATOM 3126 HB1 CYS 204 -7.718 20.401 3.711 1.00 0.00 +ATOM 3127 HB2 CYS 204 -6.982 20.960 2.364 1.00 0.00 +ATOM 3128 SG CYS 204 -7.989 22.765 3.555 1.00 0.00 S +ATOM 3129 HG1 CYS 204 -7.193 23.030 4.100 1.00 0.00 +ATOM 3130 C CYS 204 -8.679 19.220 1.650 1.00 0.00 C +ATOM 3131 O CYS 204 -7.702 19.013 0.928 1.00 0.00 O +ATOM 3132 N THR 205 -9.428 18.204 2.115 1.00 0.00 N +ATOM 3133 HN THR 205 -10.289 18.381 2.591 1.00 0.00 +ATOM 3134 CA THR 205 -8.964 16.858 1.913 1.00 0.00 C +ATOM 3135 HA THR 205 -7.991 16.995 1.726 1.00 0.00 +ATOM 3136 CB THR 205 -9.204 16.007 3.127 1.00 0.00 C +ATOM 3137 HB THR 205 -10.179 15.974 3.345 1.00 0.00 +ATOM 3138 OG1 THR 205 -8.600 16.595 4.270 1.00 0.00 O +ATOM 3139 HG1 THR 205 -8.768 16.018 5.070 1.00 0.00 +ATOM 3140 CG2 THR 205 -8.604 14.617 2.876 1.00 0.00 C +ATOM 3141 HG21 THR 205 -8.756 14.038 3.677 1.00 0.00 +ATOM 3142 HG22 THR 205 -9.043 14.204 2.078 1.00 0.00 +ATOM 3143 HG23 THR 205 -7.622 14.703 2.709 1.00 0.00 +ATOM 3144 C THR 205 -9.630 16.170 0.760 1.00 0.00 C +ATOM 3145 O THR 205 -10.846 16.233 0.585 1.00 0.00 O +ATOM 3146 N VAL 206 -8.811 15.465 -0.056 1.00 0.00 N +ATOM 3147 HN VAL 206 -7.829 15.474 0.135 1.00 0.00 +ATOM 3148 CA VAL 206 -9.278 14.707 -1.178 1.00 0.00 C +ATOM 3149 HA VAL 206 -10.206 15.033 -1.358 1.00 0.00 +ATOM 3150 CB VAL 206 -8.438 14.892 -2.416 1.00 0.00 C +ATOM 3151 HB VAL 206 -7.487 14.643 -2.235 1.00 0.00 +ATOM 3152 CG1 VAL 206 -8.943 13.953 -3.525 1.00 0.00 C +ATOM 3153 HG11 VAL 206 -8.385 14.076 -4.346 1.00 0.00 +ATOM 3154 HG12 VAL 206 -8.875 13.005 -3.215 1.00 0.00 +ATOM 3155 HG13 VAL 206 -9.897 14.168 -3.735 1.00 0.00 +ATOM 3156 CG2 VAL 206 -8.472 16.377 -2.807 1.00 0.00 C +ATOM 3157 HG21 VAL 206 -7.919 16.518 -3.628 1.00 0.00 +ATOM 3158 HG22 VAL 206 -9.416 16.652 -2.990 1.00 0.00 +ATOM 3159 HG23 VAL 206 -8.103 16.927 -2.058 1.00 0.00 +ATOM 3160 C VAL 206 -9.179 13.270 -0.790 1.00 0.00 C +ATOM 3161 O VAL 206 -8.185 12.831 -0.210 1.00 0.00 O +ATOM 3162 N TYR 207 -10.229 12.495 -1.114 1.00 0.00 N +ATOM 3163 HN TYR 207 -11.002 12.896 -1.606 1.00 0.00 +ATOM 3164 CA TYR 207 -10.261 11.108 -0.768 1.00 0.00 C +ATOM 3165 HA TYR 207 -9.584 10.967 -0.046 1.00 0.00 +ATOM 3166 CB TYR 207 -11.662 10.680 -0.283 1.00 0.00 C +ATOM 3167 HB1 TYR 207 -11.885 11.161 0.565 1.00 0.00 +ATOM 3168 HB2 TYR 207 -12.342 10.903 -0.982 1.00 0.00 +ATOM 3169 CG TYR 207 -11.728 9.212 -0.018 1.00 0.00 C +ATOM 3170 CD1 TYR 207 -12.029 8.330 -1.030 1.00 0.00 C +ATOM 3171 HD1 TYR 207 -12.200 8.676 -1.953 1.00 0.00 +ATOM 3172 CE1 TYR 207 -12.098 6.976 -0.786 1.00 0.00 C +ATOM 3173 HE1 TYR 207 -12.313 6.344 -1.531 1.00 0.00 +ATOM 3174 CZ TYR 207 -11.871 6.493 0.482 1.00 0.00 C +ATOM 3175 OH TYR 207 -11.938 5.107 0.746 1.00 0.00 O +ATOM 3176 HH TYR 207 -11.747 4.942 1.714 1.00 0.00 +ATOM 3177 CD2 TYR 207 -11.509 8.721 1.248 1.00 0.00 C +ATOM 3178 HD2 TYR 207 -11.300 9.352 1.995 1.00 0.00 +ATOM 3179 CE2 TYR 207 -11.575 7.369 1.496 1.00 0.00 C +ATOM 3180 HE2 TYR 207 -11.407 7.023 2.419 1.00 0.00 +ATOM 3181 C TYR 207 -9.930 10.365 -2.014 1.00 0.00 C +ATOM 3182 O TYR 207 -10.690 10.366 -2.984 1.00 0.00 O +ATOM 3183 N CYS 208 -8.743 9.730 -2.025 1.00 0.00 N +ATOM 3184 HN CYS 208 -8.140 9.778 -1.229 1.00 0.00 +ATOM 3185 CA CYS 208 -8.351 8.990 -3.177 1.00 0.00 C +ATOM 3186 HA CYS 208 -8.932 9.319 -3.922 1.00 0.00 +ATOM 3187 CB CYS 208 -6.869 9.177 -3.545 1.00 0.00 C +ATOM 3188 HB1 CYS 208 -6.749 10.166 -3.635 1.00 0.00 +ATOM 3189 HB2 CYS 208 -6.362 8.850 -2.747 1.00 0.00 +ATOM 3190 SG CYS 208 -6.403 8.291 -5.061 1.00 0.00 S +ATOM 3191 HG1 CYS 208 -5.434 8.446 -5.253 1.00 0.00 +ATOM 3192 C CYS 208 -8.557 7.563 -2.828 1.00 0.00 C +ATOM 3193 O CYS 208 -8.080 7.092 -1.799 1.00 0.00 O +ATOM 3194 N GLY 209 -9.293 6.831 -3.678 1.00 0.00 N +ATOM 3195 HN GLY 209 -9.655 7.243 -4.514 1.00 0.00 +ATOM 3196 CA GLY 209 -9.556 5.462 -3.381 1.00 0.00 C +ATOM 3197 HA1 GLY 209 -8.898 5.148 -2.697 1.00 0.00 +ATOM 3198 HA2 GLY 209 -10.482 5.384 -3.012 1.00 0.00 +ATOM 3199 C GLY 209 -9.424 4.672 -4.636 1.00 0.00 C +ATOM 3200 O GLY 209 -9.546 5.197 -5.744 1.00 0.00 O +ATOM 3201 N GLY 210 -9.202 3.357 -4.459 1.00 0.00 N +ATOM 3202 HN GLY 210 -9.125 2.992 -3.531 1.00 0.00 +ATOM 3203 CA GLY 210 -9.075 2.474 -5.575 1.00 0.00 C +ATOM 3204 HA1 GLY 210 -9.658 1.678 -5.412 1.00 0.00 +ATOM 3205 HA2 GLY 210 -9.390 2.956 -6.393 1.00 0.00 +ATOM 3206 C GLY 210 -7.650 2.046 -5.743 1.00 0.00 C +ATOM 3207 O GLY 210 -7.389 1.102 -6.484 1.00 0.00 O +ATOM 3208 N VAL 211 -6.684 2.704 -5.065 1.00 0.00 N +ATOM 3209 HN VAL 211 -6.916 3.451 -4.443 1.00 0.00 +ATOM 3210 CA VAL 211 -5.314 2.307 -5.257 1.00 0.00 C +ATOM 3211 HA VAL 211 -5.275 1.980 -6.201 1.00 0.00 +ATOM 3212 CB VAL 211 -4.335 3.430 -5.077 1.00 0.00 C +ATOM 3213 HB VAL 211 -4.371 3.790 -4.145 1.00 0.00 +ATOM 3214 CG1 VAL 211 -2.908 2.890 -5.296 1.00 0.00 C +ATOM 3215 HG11 VAL 211 -2.249 3.633 -5.178 1.00 0.00 +ATOM 3216 HG12 VAL 211 -2.719 2.168 -4.631 1.00 0.00 +ATOM 3217 HG13 VAL 211 -2.830 2.519 -6.222 1.00 0.00 +ATOM 3218 CG2 VAL 211 -4.731 4.571 -6.028 1.00 0.00 C +ATOM 3219 HG21 VAL 211 -4.089 5.331 -5.923 1.00 0.00 +ATOM 3220 HG22 VAL 211 -4.706 4.242 -6.972 1.00 0.00 +ATOM 3221 HG23 VAL 211 -5.655 4.883 -5.808 1.00 0.00 +ATOM 3222 C VAL 211 -4.981 1.270 -4.235 1.00 0.00 C +ATOM 3223 O VAL 211 -4.593 1.568 -3.107 1.00 0.00 O +ATOM 3224 N THR 212 -5.178 0.007 -4.639 1.00 0.00 N +ATOM 3225 HN THR 212 -5.540 -0.124 -5.562 1.00 0.00 +ATOM 3226 CA THR 212 -4.918 -1.168 -3.872 1.00 0.00 C +ATOM 3227 HA THR 212 -5.294 -0.995 -2.962 1.00 0.00 +ATOM 3228 CB THR 212 -5.564 -2.353 -4.525 1.00 0.00 C +ATOM 3229 HB THR 212 -5.173 -2.509 -5.432 1.00 0.00 +ATOM 3230 OG1 THR 212 -6.941 -2.100 -4.753 1.00 0.00 O +ATOM 3231 HG1 THR 212 -7.359 -2.897 -5.188 1.00 0.00 +ATOM 3232 CG2 THR 212 -5.418 -3.557 -3.593 1.00 0.00 C +ATOM 3233 HG21 THR 212 -5.844 -4.358 -4.014 1.00 0.00 +ATOM 3234 HG22 THR 212 -4.448 -3.740 -3.435 1.00 0.00 +ATOM 3235 HG23 THR 212 -5.867 -3.360 -2.721 1.00 0.00 +ATOM 3236 C THR 212 -3.441 -1.420 -3.833 1.00 0.00 C +ATOM 3237 O THR 212 -2.906 -1.834 -2.807 1.00 0.00 O +ATOM 3238 N SER 213 -2.739 -1.169 -4.962 1.00 0.00 N +ATOM 3239 HN SER 213 -3.183 -0.721 -5.738 1.00 0.00 +ATOM 3240 CA SER 213 -1.354 -1.547 -5.047 1.00 0.00 C +ATOM 3241 HA SER 213 -1.152 -1.860 -4.119 1.00 0.00 +ATOM 3242 CB SER 213 -1.108 -2.642 -6.104 1.00 0.00 C +ATOM 3243 HB1 SER 213 -1.618 -3.473 -5.881 1.00 0.00 +ATOM 3244 HB2 SER 213 -1.371 -2.323 -7.014 1.00 0.00 +ATOM 3245 OG SER 213 0.268 -2.990 -6.157 1.00 0.00 O +ATOM 3246 HG1 SER 213 0.406 -3.700 -6.847 1.00 0.00 +ATOM 3247 C SER 213 -0.511 -0.371 -5.434 1.00 0.00 C +ATOM 3248 O SER 213 -1.004 0.633 -5.945 1.00 0.00 O +ATOM 3249 N GLY 214 0.801 -0.465 -5.120 1.00 0.00 N +ATOM 3250 HN GLY 214 1.101 -1.260 -4.593 1.00 0.00 +ATOM 3251 CA GLY 214 1.792 0.506 -5.496 1.00 0.00 C +ATOM 3252 HA1 GLY 214 2.695 0.155 -5.247 1.00 0.00 +ATOM 3253 HA2 GLY 214 1.748 0.642 -6.486 1.00 0.00 +ATOM 3254 C GLY 214 1.526 1.791 -4.788 1.00 0.00 C +ATOM 3255 O GLY 214 2.141 2.814 -5.091 1.00 0.00 O +ATOM 3256 N LEU 215 0.632 1.763 -3.787 1.00 0.00 N +ATOM 3257 HN LEU 215 0.252 0.891 -3.480 1.00 0.00 +ATOM 3258 CA LEU 215 0.224 2.981 -3.161 1.00 0.00 C +ATOM 3259 HA LEU 215 0.133 3.634 -3.913 1.00 0.00 +ATOM 3260 CB LEU 215 -1.107 2.828 -2.404 1.00 0.00 C +ATOM 3261 HB1 LEU 215 -1.787 2.459 -3.037 1.00 0.00 +ATOM 3262 HB2 LEU 215 -0.968 2.184 -1.651 1.00 0.00 +ATOM 3263 CG LEU 215 -1.656 4.139 -1.820 1.00 0.00 C +ATOM 3264 HG LEU 215 -0.945 4.555 -1.253 1.00 0.00 +ATOM 3265 CD1 LEU 215 -1.984 5.144 -2.937 1.00 0.00 C +ATOM 3266 HD11 LEU 215 -2.339 5.987 -2.533 1.00 0.00 +ATOM 3267 HD12 LEU 215 -1.154 5.347 -3.457 1.00 0.00 +ATOM 3268 HD13 LEU 215 -2.672 4.751 -3.547 1.00 0.00 +ATOM 3269 CD2 LEU 215 -2.857 3.872 -0.900 1.00 0.00 C +ATOM 3270 HD21 LEU 215 -3.195 4.739 -0.533 1.00 0.00 +ATOM 3271 HD22 LEU 215 -3.583 3.424 -1.422 1.00 0.00 +ATOM 3272 HD23 LEU 215 -2.574 3.279 -0.146 1.00 0.00 +ATOM 3273 C LEU 215 1.280 3.402 -2.199 1.00 0.00 C +ATOM 3274 O LEU 215 1.477 2.795 -1.147 1.00 0.00 O +ATOM 3275 N THR 216 1.991 4.483 -2.567 1.00 0.00 N +ATOM 3276 HN THR 216 1.786 4.920 -3.443 1.00 0.00 +ATOM 3277 CA THR 216 3.028 5.028 -1.750 1.00 0.00 C +ATOM 3278 HA THR 216 3.003 4.518 -0.890 1.00 0.00 +ATOM 3279 CB THR 216 4.394 4.872 -2.352 1.00 0.00 C +ATOM 3280 HB THR 216 5.073 5.377 -1.819 1.00 0.00 +ATOM 3281 OG1 THR 216 4.436 5.473 -3.638 1.00 0.00 O +ATOM 3282 HG1 THR 216 5.350 5.362 -4.028 1.00 0.00 +ATOM 3283 CG2 THR 216 4.720 3.372 -2.451 1.00 0.00 C +ATOM 3284 HG21 THR 216 5.629 3.254 -2.851 1.00 0.00 +ATOM 3285 HG22 THR 216 4.703 2.966 -1.537 1.00 0.00 +ATOM 3286 HG23 THR 216 4.040 2.921 -3.029 1.00 0.00 +ATOM 3287 C THR 216 2.736 6.485 -1.607 1.00 0.00 C +ATOM 3288 O THR 216 1.898 7.036 -2.319 1.00 0.00 O +ATOM 3289 N GLU 217 3.400 7.137 -0.638 1.00 0.00 N +ATOM 3290 HN GLU 217 4.052 6.640 -0.065 1.00 0.00 +ATOM 3291 CA GLU 217 3.186 8.537 -0.415 1.00 0.00 C +ATOM 3292 HA GLU 217 2.196 8.625 -0.302 1.00 0.00 +ATOM 3293 CB GLU 217 3.916 9.052 0.845 1.00 0.00 C +ATOM 3294 HB1 GLU 217 3.848 10.050 0.860 1.00 0.00 +ATOM 3295 HB2 GLU 217 3.457 8.674 1.649 1.00 0.00 +ATOM 3296 CG GLU 217 5.401 8.680 0.933 1.00 0.00 C +ATOM 3297 HG1 GLU 217 5.705 8.727 1.885 1.00 0.00 +ATOM 3298 HG2 GLU 217 5.538 7.753 0.585 1.00 0.00 +ATOM 3299 CD GLU 217 6.211 9.657 0.097 1.00 0.00 C +ATOM 3300 OE1 GLU 217 5.898 10.877 0.139 1.00 0.00 O +ATOM 3301 OE2 GLU 217 7.145 9.192 -0.609 1.00 0.00 O +ATOM 3302 C GLU 217 3.659 9.296 -1.614 1.00 0.00 C +ATOM 3303 O GLU 217 3.024 10.260 -2.038 1.00 0.00 O +ATOM 3304 N GLN 218 4.787 8.856 -2.197 1.00 0.00 N +ATOM 3305 HN GLN 218 5.218 8.029 -1.835 1.00 0.00 +ATOM 3306 CA GLN 218 5.403 9.513 -3.311 1.00 0.00 C +ATOM 3307 HA GLN 218 5.525 10.454 -2.997 1.00 0.00 +ATOM 3308 CB GLN 218 6.732 8.845 -3.697 1.00 0.00 C +ATOM 3309 HB1 GLN 218 7.156 9.374 -4.432 1.00 0.00 +ATOM 3310 HB2 GLN 218 7.334 8.841 -2.898 1.00 0.00 +ATOM 3311 CG GLN 218 6.545 7.401 -4.177 1.00 0.00 C +ATOM 3312 HG1 GLN 218 6.044 6.878 -3.487 1.00 0.00 +ATOM 3313 HG2 GLN 218 6.034 7.394 -5.036 1.00 0.00 +ATOM 3314 CD GLN 218 7.914 6.771 -4.396 1.00 0.00 C +ATOM 3315 OE1 GLN 218 8.032 5.710 -5.009 1.00 0.00 O +ATOM 3316 NE2 GLN 218 8.977 7.442 -3.880 1.00 0.00 N +ATOM 3317 HE21 GLN 218 8.835 8.301 -3.388 1.00 0.00 +ATOM 3318 HE22 GLN 218 9.901 7.077 -3.992 1.00 0.00 +ATOM 3319 C GLN 218 4.509 9.443 -4.505 1.00 0.00 C +ATOM 3320 O GLN 218 4.355 10.428 -5.226 1.00 0.00 O +ATOM 3321 N LEU 219 3.876 8.277 -4.741 1.00 0.00 N +ATOM 3322 HN LEU 219 3.952 7.521 -4.091 1.00 0.00 +ATOM 3323 CA LEU 219 3.093 8.131 -5.933 1.00 0.00 C +ATOM 3324 HA LEU 219 3.741 8.325 -6.670 1.00 0.00 +ATOM 3325 CB LEU 219 2.498 6.715 -6.104 1.00 0.00 C +ATOM 3326 HB1 LEU 219 3.235 6.053 -5.968 1.00 0.00 +ATOM 3327 HB2 LEU 219 1.801 6.587 -5.399 1.00 0.00 +ATOM 3328 CG LEU 219 1.846 6.431 -7.481 1.00 0.00 C +ATOM 3329 HG LEU 219 1.496 5.495 -7.454 1.00 0.00 +ATOM 3330 CD1 LEU 219 0.612 7.306 -7.762 1.00 0.00 C +ATOM 3331 HD11 LEU 219 0.238 7.077 -8.661 1.00 0.00 +ATOM 3332 HD12 LEU 219 -0.081 7.140 -7.061 1.00 0.00 +ATOM 3333 HD13 LEU 219 0.877 8.270 -7.747 1.00 0.00 +ATOM 3334 CD2 LEU 219 2.884 6.491 -8.612 1.00 0.00 C +ATOM 3335 HD21 LEU 219 2.436 6.304 -9.486 1.00 0.00 +ATOM 3336 HD22 LEU 219 3.297 7.401 -8.637 1.00 0.00 +ATOM 3337 HD23 LEU 219 3.595 5.807 -8.449 1.00 0.00 +ATOM 3338 C LEU 219 1.971 9.122 -5.892 1.00 0.00 C +ATOM 3339 O LEU 219 1.711 9.805 -6.880 1.00 0.00 O +ATOM 3340 N MET 220 1.268 9.223 -4.747 1.00 0.00 N +ATOM 3341 HN MET 220 1.516 8.655 -3.962 1.00 0.00 +ATOM 3342 CA MET 220 0.167 10.137 -4.641 1.00 0.00 C +ATOM 3343 HA MET 220 -0.412 9.888 -5.417 1.00 0.00 +ATOM 3344 CB MET 220 -0.580 10.013 -3.305 1.00 0.00 C +ATOM 3345 HB1 MET 220 0.079 10.131 -2.562 1.00 0.00 +ATOM 3346 HB2 MET 220 -1.267 10.738 -3.259 1.00 0.00 +ATOM 3347 CG MET 220 -1.286 8.672 -3.109 1.00 0.00 C +ATOM 3348 HG1 MET 220 -0.560 7.995 -3.232 1.00 0.00 +ATOM 3349 HG2 MET 220 -1.571 8.685 -2.151 1.00 0.00 +ATOM 3350 SD MET 220 -2.686 8.377 -4.230 1.00 0.00 S +ATOM 3351 CE MET 220 -1.666 7.914 -5.659 1.00 0.00 C +ATOM 3352 HE1 MET 220 -2.258 7.698 -6.435 1.00 0.00 +ATOM 3353 HE2 MET 220 -1.065 8.676 -5.900 1.00 0.00 +ATOM 3354 HE3 MET 220 -1.113 7.113 -5.429 1.00 0.00 +ATOM 3355 C MET 220 0.668 11.542 -4.725 1.00 0.00 C +ATOM 3356 O MET 220 0.116 12.370 -5.447 1.00 0.00 O +ATOM 3357 N ARG 221 1.769 11.841 -4.013 1.00 0.00 N +ATOM 3358 HN ARG 221 2.258 11.118 -3.525 1.00 0.00 +ATOM 3359 CA ARG 221 2.244 13.193 -3.952 1.00 0.00 C +ATOM 3360 HA ARG 221 1.466 13.686 -3.561 1.00 0.00 +ATOM 3361 CB ARG 221 3.509 13.352 -3.089 1.00 0.00 C +ATOM 3362 HB1 ARG 221 3.301 13.050 -2.159 1.00 0.00 +ATOM 3363 HB2 ARG 221 4.232 12.777 -3.472 1.00 0.00 +ATOM 3364 CG ARG 221 4.020 14.795 -3.027 1.00 0.00 C +ATOM 3365 HG1 ARG 221 4.086 15.149 -3.960 1.00 0.00 +ATOM 3366 HG2 ARG 221 3.363 15.343 -2.508 1.00 0.00 +ATOM 3367 CD ARG 221 5.390 14.927 -2.363 1.00 0.00 C +ATOM 3368 HD1 ARG 221 6.045 14.297 -2.781 1.00 0.00 +ATOM 3369 HD2 ARG 221 5.730 15.864 -2.444 1.00 0.00 +ATOM 3370 NE ARG 221 5.217 14.583 -0.925 1.00 0.00 N +ATOM 3371 HE ARG 221 4.391 14.871 -0.441 1.00 0.00 +ATOM 3372 CZ ARG 221 6.179 13.877 -0.265 1.00 0.00 C +ATOM 3373 NH1 ARG 221 7.296 13.444 -0.923 1.00 0.00 N +ATOM 3374 HH11 ARG 221 7.412 13.644 -1.896 1.00 0.00 +ATOM 3375 HH12 ARG 221 7.997 12.927 -0.432 1.00 0.00 +ATOM 3376 NH2 ARG 221 6.025 13.600 1.062 1.00 0.00 N +ATOM 3377 HH21 ARG 221 5.209 13.914 1.547 1.00 0.00 +ATOM 3378 HH22 ARG 221 6.728 13.083 1.550 1.00 0.00 +ATOM 3379 C ARG 221 2.589 13.667 -5.324 1.00 0.00 C +ATOM 3380 O ARG 221 2.231 14.781 -5.705 1.00 0.00 O +ATOM 3381 N GLN 222 3.278 12.825 -6.114 1.00 0.00 N +ATOM 3382 HN GLN 222 3.483 11.900 -5.793 1.00 0.00 +ATOM 3383 CA GLN 222 3.721 13.241 -7.411 1.00 0.00 C +ATOM 3384 HA GLN 222 4.242 14.072 -7.218 1.00 0.00 +ATOM 3385 CB GLN 222 4.599 12.185 -8.108 1.00 0.00 C +ATOM 3386 HB1 GLN 222 4.950 12.579 -8.957 1.00 0.00 +ATOM 3387 HB2 GLN 222 5.363 11.963 -7.503 1.00 0.00 +ATOM 3388 CG GLN 222 3.877 10.882 -8.455 1.00 0.00 C +ATOM 3389 HG1 GLN 222 3.525 10.454 -7.623 1.00 0.00 +ATOM 3390 HG2 GLN 222 3.120 11.067 -9.081 1.00 0.00 +ATOM 3391 CD GLN 222 4.891 9.960 -9.124 1.00 0.00 C +ATOM 3392 OE1 GLN 222 5.767 9.404 -8.466 1.00 0.00 O +ATOM 3393 NE2 GLN 222 4.776 9.794 -10.469 1.00 0.00 N +ATOM 3394 HE21 GLN 222 4.051 10.266 -10.971 1.00 0.00 +ATOM 3395 HE22 GLN 222 5.416 9.200 -10.956 1.00 0.00 +ATOM 3396 C GLN 222 2.541 13.525 -8.287 1.00 0.00 C +ATOM 3397 O GLN 222 2.548 14.501 -9.033 1.00 0.00 O +ATOM 3398 N THR 223 1.500 12.676 -8.238 1.00 0.00 N +ATOM 3399 HN THR 223 1.508 11.901 -7.606 1.00 0.00 +ATOM 3400 CA THR 223 0.377 12.894 -9.103 1.00 0.00 C +ATOM 3401 HA THR 223 0.832 12.986 -9.989 1.00 0.00 +ATOM 3402 CB THR 223 -0.598 11.750 -9.122 1.00 0.00 C +ATOM 3403 HB THR 223 -1.419 12.000 -9.636 1.00 0.00 +ATOM 3404 OG1 THR 223 -1.076 11.483 -7.813 1.00 0.00 O +ATOM 3405 HG1 THR 223 -1.722 10.721 -7.843 1.00 0.00 +ATOM 3406 CG2 THR 223 0.094 10.511 -9.705 1.00 0.00 C +ATOM 3407 HG21 THR 223 -0.550 9.746 -9.720 1.00 0.00 +ATOM 3408 HG22 THR 223 0.400 10.708 -10.636 1.00 0.00 +ATOM 3409 HG23 THR 223 0.882 10.272 -9.138 1.00 0.00 +ATOM 3410 C THR 223 -0.396 14.129 -8.733 1.00 0.00 C +ATOM 3411 O THR 223 -0.763 14.922 -9.599 1.00 0.00 O +ATOM 3412 N PHE 224 -0.669 14.315 -7.430 1.00 0.00 N +ATOM 3413 HN PHE 224 -0.280 13.674 -6.768 1.00 0.00 +ATOM 3414 CA PHE 224 -1.492 15.388 -6.937 1.00 0.00 C +ATOM 3415 HA PHE 224 -2.251 15.359 -7.588 1.00 0.00 +ATOM 3416 CB PHE 224 -1.998 15.151 -5.499 1.00 0.00 C +ATOM 3417 HB1 PHE 224 -1.241 14.890 -4.901 1.00 0.00 +ATOM 3418 HB2 PHE 224 -2.435 15.976 -5.142 1.00 0.00 +ATOM 3419 CG PHE 224 -3.001 14.038 -5.545 1.00 0.00 C +ATOM 3420 CD1 PHE 224 -2.598 12.723 -5.473 1.00 0.00 C +ATOM 3421 HD1 PHE 224 -1.624 12.514 -5.388 1.00 0.00 +ATOM 3422 CE1 PHE 224 -3.505 11.691 -5.515 1.00 0.00 C +ATOM 3423 HE1 PHE 224 -3.190 10.744 -5.461 1.00 0.00 +ATOM 3424 CZ PHE 224 -4.845 11.965 -5.631 1.00 0.00 C +ATOM 3425 HZ PHE 224 -5.511 11.219 -5.664 1.00 0.00 +ATOM 3426 CD2 PHE 224 -4.349 14.299 -5.659 1.00 0.00 C +ATOM 3427 HD2 PHE 224 -4.666 15.246 -5.711 1.00 0.00 +ATOM 3428 CE2 PHE 224 -5.265 13.272 -5.702 1.00 0.00 C +ATOM 3429 HE2 PHE 224 -6.240 13.478 -5.785 1.00 0.00 +ATOM 3430 C PHE 224 -0.831 16.736 -7.043 1.00 0.00 C +ATOM 3431 O PHE 224 -1.506 17.744 -7.244 1.00 0.00 O +ATOM 3432 N SER 225 0.508 16.793 -6.918 1.00 0.00 N +ATOM 3433 HN SER 225 1.024 15.937 -6.884 1.00 0.00 +ATOM 3434 CA SER 225 1.226 18.038 -6.831 1.00 0.00 C +ATOM 3435 HA SER 225 0.838 18.421 -5.993 1.00 0.00 +ATOM 3436 CB SER 225 2.746 17.837 -6.741 1.00 0.00 C +ATOM 3437 HB1 SER 225 3.072 17.247 -7.480 1.00 0.00 +ATOM 3438 HB2 SER 225 3.224 18.714 -6.779 1.00 0.00 +ATOM 3439 OG SER 225 3.087 17.215 -5.512 1.00 0.00 O +ATOM 3440 HG1 SER 225 4.078 17.090 -5.465 1.00 0.00 +ATOM 3441 C SER 225 0.957 18.958 -7.986 1.00 0.00 C +ATOM 3442 O SER 225 0.797 20.155 -7.749 1.00 0.00 O +ATOM 3443 N PRO 226 0.903 18.530 -9.216 1.00 0.00 N +ATOM 3444 CD PRO 226 1.592 17.340 -9.674 1.00 0.00 C +ATOM 3445 HD1 PRO 226 1.300 16.547 -9.139 1.00 0.00 +ATOM 3446 HD2 PRO 226 2.581 17.459 -9.581 1.00 0.00 +ATOM 3447 CA PRO 226 0.661 19.463 -10.281 1.00 0.00 C +ATOM 3448 HA PRO 226 1.262 20.256 -10.182 1.00 0.00 +ATOM 3449 CB PRO 226 0.959 18.705 -11.579 1.00 0.00 C +ATOM 3450 HB1 PRO 226 0.192 18.786 -12.215 1.00 0.00 +ATOM 3451 HB2 PRO 226 1.788 19.062 -12.010 1.00 0.00 +ATOM 3452 CG PRO 226 1.157 17.237 -11.145 1.00 0.00 C +ATOM 3453 HG1 PRO 226 0.303 16.723 -11.227 1.00 0.00 +ATOM 3454 HG2 PRO 226 1.866 16.795 -11.694 1.00 0.00 +ATOM 3455 C PRO 226 -0.708 20.061 -10.184 1.00 0.00 C +ATOM 3456 O PRO 226 -0.920 21.147 -10.722 1.00 0.00 O +ATOM 3457 N PHE 227 -1.668 19.343 -9.574 1.00 0.00 N +ATOM 3458 HN PHE 227 -1.447 18.433 -9.224 1.00 0.00 +ATOM 3459 CA PHE 227 -3.001 19.849 -9.413 1.00 0.00 C +ATOM 3460 HA PHE 227 -3.165 20.287 -10.297 1.00 0.00 +ATOM 3461 CB PHE 227 -4.032 18.743 -9.151 1.00 0.00 C +ATOM 3462 HB1 PHE 227 -3.801 18.220 -8.331 1.00 0.00 +ATOM 3463 HB2 PHE 227 -4.953 19.122 -9.056 1.00 0.00 +ATOM 3464 CG PHE 227 -3.957 17.869 -10.357 1.00 0.00 C +ATOM 3465 CD1 PHE 227 -4.373 18.318 -11.589 1.00 0.00 C +ATOM 3466 HD1 PHE 227 -4.736 19.245 -11.682 1.00 0.00 +ATOM 3467 CE1 PHE 227 -4.293 17.502 -12.694 1.00 0.00 C +ATOM 3468 HE1 PHE 227 -4.588 17.840 -13.588 1.00 0.00 +ATOM 3469 CZ PHE 227 -3.807 16.221 -12.568 1.00 0.00 C +ATOM 3470 HZ PHE 227 -3.753 15.624 -13.368 1.00 0.00 +ATOM 3471 CD2 PHE 227 -3.479 16.586 -10.239 1.00 0.00 C +ATOM 3472 HD2 PHE 227 -3.189 16.246 -9.345 1.00 0.00 +ATOM 3473 CE2 PHE 227 -3.396 15.765 -11.340 1.00 0.00 C +ATOM 3474 HE2 PHE 227 -3.036 14.837 -11.246 1.00 0.00 +ATOM 3475 C PHE 227 -3.079 20.864 -8.309 1.00 0.00 C +ATOM 3476 O PHE 227 -3.803 21.853 -8.422 1.00 0.00 O +ATOM 3477 N GLY 228 -2.353 20.641 -7.192 1.00 0.00 N +ATOM 3478 HN GLY 228 -1.763 19.837 -7.119 1.00 0.00 +ATOM 3479 CA GLY 228 -2.447 21.583 -6.111 1.00 0.00 C +ATOM 3480 HA1 GLY 228 -2.385 22.508 -6.485 1.00 0.00 +ATOM 3481 HA2 GLY 228 -3.331 21.465 -5.659 1.00 0.00 +ATOM 3482 C GLY 228 -1.329 21.335 -5.145 1.00 0.00 C +ATOM 3483 O GLY 228 -0.614 20.339 -5.241 1.00 0.00 O +ATOM 3484 N GLN 229 -1.164 22.259 -4.175 1.00 0.00 N +ATOM 3485 HN GLN 229 -1.787 23.040 -4.135 1.00 0.00 +ATOM 3486 CA GLN 229 -0.115 22.149 -3.199 1.00 0.00 C +ATOM 3487 HA GLN 229 0.690 21.882 -3.729 1.00 0.00 +ATOM 3488 CB GLN 229 0.150 23.463 -2.449 1.00 0.00 C +ATOM 3489 HB1 GLN 229 0.408 24.163 -3.115 1.00 0.00 +ATOM 3490 HB2 GLN 229 -0.691 23.739 -1.983 1.00 0.00 +ATOM 3491 CG GLN 229 1.263 23.357 -1.408 1.00 0.00 C +ATOM 3492 HG1 GLN 229 1.001 22.713 -0.689 1.00 0.00 +ATOM 3493 HG2 GLN 229 2.110 23.048 -1.840 1.00 0.00 +ATOM 3494 CD GLN 229 1.460 24.742 -0.815 1.00 0.00 C +ATOM 3495 OE1 GLN 229 1.255 24.959 0.378 1.00 0.00 O +ATOM 3496 NE2 GLN 229 1.871 25.712 -1.674 1.00 0.00 N +ATOM 3497 HE21 GLN 229 2.026 25.494 -2.637 1.00 0.00 +ATOM 3498 HE22 GLN 229 2.018 26.644 -1.343 1.00 0.00 +ATOM 3499 C GLN 229 -0.513 21.117 -2.194 1.00 0.00 C +ATOM 3500 O GLN 229 -1.651 21.100 -1.724 1.00 0.00 O +ATOM 3501 N ILE 230 0.440 20.235 -1.817 1.00 0.00 N +ATOM 3502 HN ILE 230 1.376 20.328 -2.156 1.00 0.00 +ATOM 3503 CA ILE 230 0.096 19.164 -0.926 1.00 0.00 C +ATOM 3504 HA ILE 230 -0.903 19.214 -0.935 1.00 0.00 +ATOM 3505 CB ILE 230 0.547 17.797 -1.376 1.00 0.00 C +ATOM 3506 HB ILE 230 1.520 17.829 -1.603 1.00 0.00 +ATOM 3507 CG2 ILE 230 0.295 16.833 -0.207 1.00 0.00 C +ATOM 3508 HG21 ILE 230 0.583 15.911 -0.467 1.00 0.00 +ATOM 3509 HG22 ILE 230 0.818 17.133 0.591 1.00 0.00 +ATOM 3510 HG23 ILE 230 -0.680 16.828 0.016 1.00 0.00 +ATOM 3511 CG1 ILE 230 -0.168 17.348 -2.664 1.00 0.00 C +ATOM 3512 HG11 ILE 230 -0.005 16.369 -2.791 1.00 0.00 +ATOM 3513 HG12 ILE 230 -1.148 17.512 -2.554 1.00 0.00 +ATOM 3514 CD ILE 230 0.288 18.066 -3.928 1.00 0.00 C +ATOM 3515 HD1 ILE 230 -0.224 17.716 -4.713 1.00 0.00 +ATOM 3516 HD2 ILE 230 0.122 19.047 -3.832 1.00 0.00 +ATOM 3517 HD3 ILE 230 1.265 17.905 -4.069 1.00 0.00 +ATOM 3518 C ILE 230 0.686 19.391 0.427 1.00 0.00 C +ATOM 3519 O ILE 230 1.886 19.622 0.577 1.00 0.00 O +ATOM 3520 N MET 231 -0.201 19.479 1.440 1.00 0.00 N +ATOM 3521 HN MET 231 -1.176 19.514 1.220 1.00 0.00 +ATOM 3522 CA MET 231 0.193 19.524 2.817 1.00 0.00 C +ATOM 3523 HA MET 231 0.976 20.145 2.778 1.00 0.00 +ATOM 3524 CB MET 231 -0.918 20.040 3.739 1.00 0.00 C +ATOM 3525 HB1 MET 231 -1.756 19.531 3.542 1.00 0.00 +ATOM 3526 HB2 MET 231 -0.645 19.877 4.687 1.00 0.00 +ATOM 3527 CG MET 231 -1.210 21.530 3.572 1.00 0.00 C +ATOM 3528 HG1 MET 231 -0.330 21.975 3.739 1.00 0.00 +ATOM 3529 HG2 MET 231 -1.456 21.628 2.608 1.00 0.00 +ATOM 3530 SD MET 231 -2.513 22.153 4.677 1.00 0.00 S +ATOM 3531 CE MET 231 -1.642 21.722 6.213 1.00 0.00 C +ATOM 3532 HE1 MET 231 -2.201 21.987 6.999 1.00 0.00 +ATOM 3533 HE2 MET 231 -1.478 20.736 6.238 1.00 0.00 +ATOM 3534 HE3 MET 231 -0.768 22.206 6.247 1.00 0.00 +ATOM 3535 C MET 231 0.584 18.169 3.328 1.00 0.00 C +ATOM 3536 O MET 231 1.614 18.020 3.985 1.00 0.00 O +ATOM 3537 N GLU 232 -0.232 17.132 3.023 1.00 0.00 N +ATOM 3538 HN GLU 232 -1.000 17.257 2.394 1.00 0.00 +ATOM 3539 CA GLU 232 0.023 15.850 3.617 1.00 0.00 C +ATOM 3540 HA GLU 232 1.016 15.849 3.732 1.00 0.00 +ATOM 3541 CB GLU 232 -0.712 15.660 4.951 1.00 0.00 C +ATOM 3542 HB1 GLU 232 -0.427 16.384 5.579 1.00 0.00 +ATOM 3543 HB2 GLU 232 -1.696 15.729 4.786 1.00 0.00 +ATOM 3544 CG GLU 232 -0.428 14.313 5.610 1.00 0.00 C +ATOM 3545 HG1 GLU 232 -0.477 13.580 4.931 1.00 0.00 +ATOM 3546 HG2 GLU 232 0.480 14.319 6.029 1.00 0.00 +ATOM 3547 CD GLU 232 -1.487 14.101 6.675 1.00 0.00 C +ATOM 3548 OE1 GLU 232 -1.391 14.715 7.772 1.00 0.00 O +ATOM 3549 OE2 GLU 232 -2.425 13.313 6.385 1.00 0.00 O +ATOM 3550 C GLU 232 -0.450 14.759 2.708 1.00 0.00 C +ATOM 3551 O GLU 232 -1.398 14.928 1.942 1.00 0.00 O +ATOM 3552 N ILE 233 0.246 13.606 2.771 1.00 0.00 N +ATOM 3553 HN ILE 233 1.045 13.557 3.371 1.00 0.00 +ATOM 3554 CA ILE 233 -0.118 12.450 2.010 1.00 0.00 C +ATOM 3555 HA ILE 233 -0.950 12.697 1.514 1.00 0.00 +ATOM 3556 CB ILE 233 0.947 12.022 1.035 1.00 0.00 C +ATOM 3557 HB ILE 233 1.815 11.903 1.518 1.00 0.00 +ATOM 3558 CG2 ILE 233 0.518 10.678 0.429 1.00 0.00 C +ATOM 3559 HG21 ILE 233 1.210 10.371 -0.224 1.00 0.00 +ATOM 3560 HG22 ILE 233 0.422 9.999 1.157 1.00 0.00 +ATOM 3561 HG23 ILE 233 -0.358 10.789 -0.041 1.00 0.00 +ATOM 3562 CG1 ILE 233 1.199 13.108 -0.025 1.00 0.00 C +ATOM 3563 HG11 ILE 233 1.460 13.953 0.441 1.00 0.00 +ATOM 3564 HG12 ILE 233 1.947 12.808 -0.617 1.00 0.00 +ATOM 3565 CD ILE 233 -0.018 13.400 -0.902 1.00 0.00 C +ATOM 3566 HD1 ILE 233 0.213 14.111 -1.566 1.00 0.00 +ATOM 3567 HD2 ILE 233 -0.288 12.567 -1.386 1.00 0.00 +ATOM 3568 HD3 ILE 233 -0.775 13.712 -0.328 1.00 0.00 +ATOM 3569 C ILE 233 -0.253 11.338 2.995 1.00 0.00 C +ATOM 3570 O ILE 233 0.729 10.923 3.608 1.00 0.00 O +ATOM 3571 N ARG 234 -1.483 10.826 3.176 1.00 0.00 N +ATOM 3572 HN ARG 234 -2.260 11.203 2.672 1.00 0.00 +ATOM 3573 CA ARG 234 -1.679 9.744 4.088 1.00 0.00 C +ATOM 3574 HA ARG 234 -0.799 9.560 4.526 1.00 0.00 +ATOM 3575 CB ARG 234 -2.724 10.070 5.167 1.00 0.00 C +ATOM 3576 HB1 ARG 234 -2.460 10.925 5.614 1.00 0.00 +ATOM 3577 HB2 ARG 234 -3.612 10.186 4.722 1.00 0.00 +ATOM 3578 CG ARG 234 -2.872 9.000 6.244 1.00 0.00 C +ATOM 3579 HG1 ARG 234 -3.307 8.195 5.841 1.00 0.00 +ATOM 3580 HG2 ARG 234 -1.963 8.754 6.581 1.00 0.00 +ATOM 3581 CD ARG 234 -3.720 9.482 7.418 1.00 0.00 C +ATOM 3582 HD1 ARG 234 -4.572 9.892 7.093 1.00 0.00 +ATOM 3583 HD2 ARG 234 -3.930 8.724 8.036 1.00 0.00 +ATOM 3584 NE ARG 234 -2.913 10.506 8.136 1.00 0.00 N +ATOM 3585 HE ARG 234 -1.983 10.287 8.430 1.00 0.00 +ATOM 3586 CZ ARG 234 -3.432 11.740 8.396 1.00 0.00 C +ATOM 3587 NH1 ARG 234 -4.662 12.088 7.918 1.00 0.00 N +ATOM 3588 HH11 ARG 234 -5.189 11.436 7.373 1.00 0.00 +ATOM 3589 HH12 ARG 234 -5.036 12.995 8.113 1.00 0.00 +ATOM 3590 NH2 ARG 234 -2.714 12.630 9.140 1.00 0.00 N +ATOM 3591 HH21 ARG 234 -1.813 12.376 9.491 1.00 0.00 +ATOM 3592 HH22 ARG 234 -3.089 13.536 9.334 1.00 0.00 +ATOM 3593 C ARG 234 -2.182 8.618 3.249 1.00 0.00 C +ATOM 3594 O ARG 234 -3.180 8.774 2.549 1.00 0.00 O +ATOM 3595 N VAL 235 -1.500 7.453 3.289 1.00 0.00 N +ATOM 3596 HN VAL 235 -0.738 7.333 3.925 1.00 0.00 +ATOM 3597 CA VAL 235 -1.885 6.390 2.405 1.00 0.00 C +ATOM 3598 HA VAL 235 -2.726 6.736 1.989 1.00 0.00 +ATOM 3599 CB VAL 235 -0.852 6.089 1.353 1.00 0.00 C +ATOM 3600 HB VAL 235 -1.132 5.306 0.798 1.00 0.00 +ATOM 3601 CG1 VAL 235 -0.734 7.306 0.420 1.00 0.00 C +ATOM 3602 HG11 VAL 235 -0.050 7.120 -0.285 1.00 0.00 +ATOM 3603 HG12 VAL 235 -1.619 7.482 -0.012 1.00 0.00 +ATOM 3604 HG13 VAL 235 -0.457 8.107 0.950 1.00 0.00 +ATOM 3605 CG2 VAL 235 0.471 5.713 2.044 1.00 0.00 C +ATOM 3606 HG21 VAL 235 1.163 5.511 1.351 1.00 0.00 +ATOM 3607 HG22 VAL 235 0.780 6.477 2.611 1.00 0.00 +ATOM 3608 HG23 VAL 235 0.330 4.907 2.619 1.00 0.00 +ATOM 3609 C VAL 235 -2.090 5.128 3.174 1.00 0.00 C +ATOM 3610 O VAL 235 -1.474 4.912 4.216 1.00 0.00 O +ATOM 3611 N PHE 236 -3.023 4.282 2.679 1.00 0.00 N +ATOM 3612 HN PHE 236 -3.559 4.558 1.881 1.00 0.00 +ATOM 3613 CA PHE 236 -3.261 3.000 3.272 1.00 0.00 C +ATOM 3614 HA PHE 236 -2.470 2.829 3.859 1.00 0.00 +ATOM 3615 CB PHE 236 -4.566 2.958 4.081 1.00 0.00 C +ATOM 3616 HB1 PHE 236 -5.348 3.149 3.487 1.00 0.00 +ATOM 3617 HB2 PHE 236 -4.682 2.060 4.506 1.00 0.00 +ATOM 3618 CG PHE 236 -4.496 3.999 5.149 1.00 0.00 C +ATOM 3619 CD1 PHE 236 -3.826 3.767 6.328 1.00 0.00 C +ATOM 3620 HD1 PHE 236 -3.374 2.887 6.474 1.00 0.00 +ATOM 3621 CE1 PHE 236 -3.770 4.730 7.308 1.00 0.00 C +ATOM 3622 HE1 PHE 236 -3.278 4.549 8.160 1.00 0.00 +ATOM 3623 CZ PHE 236 -4.391 5.942 7.116 1.00 0.00 C +ATOM 3624 HZ PHE 236 -4.352 6.644 7.827 1.00 0.00 +ATOM 3625 CD2 PHE 236 -5.116 5.215 4.968 1.00 0.00 C +ATOM 3626 HD2 PHE 236 -5.609 5.397 4.117 1.00 0.00 +ATOM 3627 CE2 PHE 236 -5.064 6.183 5.945 1.00 0.00 C +ATOM 3628 HE2 PHE 236 -5.517 7.063 5.801 1.00 0.00 +ATOM 3629 C PHE 236 -3.431 2.028 2.139 1.00 0.00 C +ATOM 3630 O PHE 236 -4.532 1.861 1.611 1.00 0.00 O +ATOM 3631 N PRO 237 -2.371 1.382 1.746 1.00 0.00 N +ATOM 3632 CD PRO 237 -1.185 1.274 2.577 1.00 0.00 C +ATOM 3633 HD1 PRO 237 -1.454 1.131 3.529 1.00 0.00 +ATOM 3634 HD2 PRO 237 -0.647 2.114 2.505 1.00 0.00 +ATOM 3635 CA PRO 237 -2.387 0.421 0.673 1.00 0.00 C +ATOM 3636 HA PRO 237 -2.738 0.853 -0.158 1.00 0.00 +ATOM 3637 CB PRO 237 -0.944 -0.062 0.566 1.00 0.00 C +ATOM 3638 HB1 PRO 237 -0.909 -1.010 0.249 1.00 0.00 +ATOM 3639 HB2 PRO 237 -0.420 0.518 -0.058 1.00 0.00 +ATOM 3640 CG PRO 237 -0.425 0.062 2.013 1.00 0.00 C +ATOM 3641 HG1 PRO 237 -0.633 -0.763 2.538 1.00 0.00 +ATOM 3642 HG2 PRO 237 0.562 0.225 2.025 1.00 0.00 +ATOM 3643 C PRO 237 -3.304 -0.724 0.990 1.00 0.00 C +ATOM 3644 O PRO 237 -3.939 -1.254 0.080 1.00 0.00 O +ATOM 3645 N ASP 238 -3.360 -1.141 2.267 1.00 0.00 N +ATOM 3646 HN ASP 238 -2.836 -0.647 2.961 1.00 0.00 +ATOM 3647 CA ASP 238 -4.147 -2.271 2.667 1.00 0.00 C +ATOM 3648 HA ASP 238 -3.846 -2.995 2.046 1.00 0.00 +ATOM 3649 CB ASP 238 -3.898 -2.671 4.138 1.00 0.00 C +ATOM 3650 HB1 ASP 238 -4.499 -3.433 4.380 1.00 0.00 +ATOM 3651 HB2 ASP 238 -2.944 -2.951 4.248 1.00 0.00 +ATOM 3652 CG ASP 238 -4.181 -1.499 5.078 1.00 0.00 C +ATOM 3653 OD1 ASP 238 -4.141 -0.324 4.627 1.00 0.00 O +ATOM 3654 OD2 ASP 238 -4.427 -1.773 6.283 1.00 0.00 O +ATOM 3655 C ASP 238 -5.603 -1.991 2.463 1.00 0.00 C +ATOM 3656 O ASP 238 -6.352 -2.853 1.999 1.00 0.00 O +ATOM 3657 N LYS 239 -6.035 -0.782 2.856 1.00 0.00 N +ATOM 3658 HN LYS 239 -5.369 -0.163 3.273 1.00 0.00 +ATOM 3659 CA LYS 239 -7.384 -0.316 2.719 1.00 0.00 C +ATOM 3660 HA LYS 239 -7.956 -1.087 2.999 1.00 0.00 +ATOM 3661 CB LYS 239 -7.646 0.897 3.621 1.00 0.00 C +ATOM 3662 HB1 LYS 239 -6.974 1.609 3.419 1.00 0.00 +ATOM 3663 HB2 LYS 239 -8.566 1.247 3.443 1.00 0.00 +ATOM 3664 CG LYS 239 -7.534 0.503 5.097 1.00 0.00 C +ATOM 3665 HG1 LYS 239 -8.372 0.024 5.357 1.00 0.00 +ATOM 3666 HG2 LYS 239 -6.753 -0.113 5.198 1.00 0.00 +ATOM 3667 CD LYS 239 -7.340 1.674 6.057 1.00 0.00 C +ATOM 3668 HD1 LYS 239 -6.530 2.187 5.772 1.00 0.00 +ATOM 3669 HD2 LYS 239 -8.145 2.265 6.003 1.00 0.00 +ATOM 3670 CE LYS 239 -7.153 1.235 7.511 1.00 0.00 C +ATOM 3671 HE1 LYS 239 -8.038 1.013 7.920 1.00 0.00 +ATOM 3672 HE2 LYS 239 -6.556 0.434 7.554 1.00 0.00 +ATOM 3673 NZ LYS 239 -6.534 2.329 8.287 1.00 0.00 N +ATOM 3674 HZ1 LYS 239 -6.414 2.038 9.236 1.00 0.00 +ATOM 3675 HZ2 LYS 239 -5.643 2.555 7.892 1.00 0.00 +ATOM 3676 HZ3 LYS 239 -7.126 3.135 8.258 1.00 0.00 +ATOM 3677 C LYS 239 -7.661 0.029 1.284 1.00 0.00 C +ATOM 3678 O LYS 239 -8.789 -0.105 0.812 1.00 0.00 O +ATOM 3679 N GLY 240 -6.637 0.501 0.548 1.00 0.00 N +ATOM 3680 HN GLY 240 -5.735 0.619 0.964 1.00 0.00 +ATOM 3681 CA GLY 240 -6.839 0.836 -0.835 1.00 0.00 C +ATOM 3682 HA1 GLY 240 -5.974 0.708 -1.320 1.00 0.00 +ATOM 3683 HA2 GLY 240 -7.528 0.217 -1.212 1.00 0.00 +ATOM 3684 C GLY 240 -7.298 2.259 -0.962 1.00 0.00 C +ATOM 3685 O GLY 240 -8.012 2.598 -1.906 1.00 0.00 O +ATOM 3686 N TYR 241 -6.944 3.134 0.002 1.00 0.00 N +ATOM 3687 HN TYR 241 -6.426 2.835 0.803 1.00 0.00 +ATOM 3688 CA TYR 241 -7.333 4.506 -0.157 1.00 0.00 C +ATOM 3689 HA TYR 241 -7.399 4.608 -1.150 1.00 0.00 +ATOM 3690 CB TYR 241 -8.685 4.854 0.493 1.00 0.00 C +ATOM 3691 HB1 TYR 241 -8.983 5.757 0.184 1.00 0.00 +ATOM 3692 HB2 TYR 241 -9.368 4.171 0.233 1.00 0.00 +ATOM 3693 CG TYR 241 -8.585 4.876 1.985 1.00 0.00 C +ATOM 3694 CD1 TYR 241 -8.553 3.716 2.727 1.00 0.00 C +ATOM 3695 HD1 TYR 241 -8.588 2.829 2.266 1.00 0.00 +ATOM 3696 CE1 TYR 241 -8.473 3.772 4.103 1.00 0.00 C +ATOM 3697 HE1 TYR 241 -8.442 2.924 4.631 1.00 0.00 +ATOM 3698 CZ TYR 241 -8.436 4.982 4.756 1.00 0.00 C +ATOM 3699 OH TYR 241 -8.358 5.054 6.165 1.00 0.00 O +ATOM 3700 HH TYR 241 -8.342 6.013 6.449 1.00 0.00 +ATOM 3701 CD2 TYR 241 -8.552 6.078 2.650 1.00 0.00 C +ATOM 3702 HD2 TYR 241 -8.588 6.928 2.124 1.00 0.00 +ATOM 3703 CE2 TYR 241 -8.471 6.141 4.022 1.00 0.00 C +ATOM 3704 HE2 TYR 241 -8.438 7.028 4.483 1.00 0.00 +ATOM 3705 C TYR 241 -6.277 5.386 0.440 1.00 0.00 C +ATOM 3706 O TYR 241 -5.376 4.918 1.136 1.00 0.00 O +ATOM 3707 N SER 242 -6.351 6.701 0.147 1.00 0.00 N +ATOM 3708 HN SER 242 -7.085 7.036 -0.444 1.00 0.00 +ATOM 3709 CA SER 242 -5.388 7.624 0.674 1.00 0.00 C +ATOM 3710 HA SER 242 -5.064 7.195 1.517 1.00 0.00 +ATOM 3711 CB SER 242 -4.221 7.888 -0.293 1.00 0.00 C +ATOM 3712 HB1 SER 242 -4.554 8.249 -1.164 1.00 0.00 +ATOM 3713 HB2 SER 242 -3.566 8.530 0.105 1.00 0.00 +ATOM 3714 OG SER 242 -3.528 6.677 -0.564 1.00 0.00 O +ATOM 3715 HG1 SER 242 -2.772 6.859 -1.193 1.00 0.00 +ATOM 3716 C SER 242 -6.079 8.928 0.900 1.00 0.00 C +ATOM 3717 O SER 242 -7.125 9.208 0.311 1.00 0.00 O +ATOM 3718 N PHE 243 -5.518 9.755 1.804 1.00 0.00 N +ATOM 3719 HN PHE 243 -4.717 9.453 2.322 1.00 0.00 +ATOM 3720 CA PHE 243 -6.057 11.060 2.030 1.00 0.00 C +ATOM 3721 HA PHE 243 -6.924 11.059 1.532 1.00 0.00 +ATOM 3722 CB PHE 243 -6.286 11.409 3.514 1.00 0.00 C +ATOM 3723 HB1 PHE 243 -5.452 11.236 4.039 1.00 0.00 +ATOM 3724 HB2 PHE 243 -6.542 12.371 3.603 1.00 0.00 +ATOM 3725 CG PHE 243 -7.386 10.567 4.072 1.00 0.00 C +ATOM 3726 CD1 PHE 243 -8.694 10.817 3.729 1.00 0.00 C +ATOM 3727 HD1 PHE 243 -8.904 11.563 3.097 1.00 0.00 +ATOM 3728 CE1 PHE 243 -9.718 10.056 4.243 1.00 0.00 C +ATOM 3729 HE1 PHE 243 -10.664 10.244 3.979 1.00 0.00 +ATOM 3730 CZ PHE 243 -9.437 9.037 5.120 1.00 0.00 C +ATOM 3731 HZ PHE 243 -10.177 8.481 5.497 1.00 0.00 +ATOM 3732 CD2 PHE 243 -7.114 9.551 4.960 1.00 0.00 C +ATOM 3733 HD2 PHE 243 -6.169 9.368 5.231 1.00 0.00 +ATOM 3734 CE2 PHE 243 -8.134 8.785 5.477 1.00 0.00 C +ATOM 3735 HE2 PHE 243 -7.926 8.043 6.114 1.00 0.00 +ATOM 3736 C PHE 243 -5.026 12.017 1.542 1.00 0.00 C +ATOM 3737 O PHE 243 -3.876 11.990 1.982 1.00 0.00 O +ATOM 3738 N VAL 244 -5.411 12.895 0.598 1.00 0.00 N +ATOM 3739 HN VAL 244 -6.338 12.865 0.225 1.00 0.00 +ATOM 3740 CA VAL 244 -4.477 13.869 0.138 1.00 0.00 C +ATOM 3741 HA VAL 244 -3.578 13.562 0.452 1.00 0.00 +ATOM 3742 CB VAL 244 -4.425 13.998 -1.361 1.00 0.00 C +ATOM 3743 HB VAL 244 -5.316 14.279 -1.717 1.00 0.00 +ATOM 3744 CG1 VAL 244 -3.403 15.084 -1.735 1.00 0.00 C +ATOM 3745 HG11 VAL 244 -3.363 15.175 -2.730 1.00 0.00 +ATOM 3746 HG12 VAL 244 -3.680 15.956 -1.331 1.00 0.00 +ATOM 3747 HG13 VAL 244 -2.501 14.827 -1.387 1.00 0.00 +ATOM 3748 CG2 VAL 244 -4.076 12.625 -1.959 1.00 0.00 C +ATOM 3749 HG21 VAL 244 -4.038 12.696 -2.956 1.00 0.00 +ATOM 3750 HG22 VAL 244 -3.187 12.326 -1.612 1.00 0.00 +ATOM 3751 HG23 VAL 244 -4.776 11.960 -1.698 1.00 0.00 +ATOM 3752 C VAL 244 -4.930 15.170 0.711 1.00 0.00 C +ATOM 3753 O VAL 244 -6.056 15.614 0.487 1.00 0.00 O +ATOM 3754 N ARG 245 -4.040 15.808 1.491 1.00 0.00 N +ATOM 3755 HN ARG 245 -3.131 15.414 1.628 1.00 0.00 +ATOM 3756 CA ARG 245 -4.377 17.045 2.128 1.00 0.00 C +ATOM 3757 HA ARG 245 -5.372 17.001 2.217 1.00 0.00 +ATOM 3758 CB ARG 245 -3.692 17.269 3.487 1.00 0.00 C +ATOM 3759 HB1 ARG 245 -2.714 17.092 3.374 1.00 0.00 +ATOM 3760 HB2 ARG 245 -3.830 18.224 3.750 1.00 0.00 +ATOM 3761 CG ARG 245 -4.191 16.397 4.634 1.00 0.00 C +ATOM 3762 HG1 ARG 245 -4.125 15.439 4.354 1.00 0.00 +ATOM 3763 HG2 ARG 245 -3.603 16.553 5.428 1.00 0.00 +ATOM 3764 CD ARG 245 -5.634 16.682 5.040 1.00 0.00 C +ATOM 3765 HD1 ARG 245 -5.806 17.667 5.052 1.00 0.00 +ATOM 3766 HD2 ARG 245 -6.269 16.241 4.407 1.00 0.00 +ATOM 3767 NE ARG 245 -5.829 16.127 6.406 1.00 0.00 N +ATOM 3768 HE ARG 245 -5.866 16.745 7.192 1.00 0.00 +ATOM 3769 CZ ARG 245 -5.958 14.783 6.596 1.00 0.00 C +ATOM 3770 NH1 ARG 245 -5.664 13.912 5.588 1.00 0.00 N +ATOM 3771 HH11 ARG 245 -5.352 14.258 4.703 1.00 0.00 +ATOM 3772 HH12 ARG 245 -5.761 12.927 5.734 1.00 0.00 +ATOM 3773 NH2 ARG 245 -6.374 14.309 7.804 1.00 0.00 N +ATOM 3774 HH21 ARG 245 -6.583 14.946 8.546 1.00 0.00 +ATOM 3775 HH22 ARG 245 -6.470 13.324 7.948 1.00 0.00 +ATOM 3776 C ARG 245 -3.840 18.127 1.267 1.00 0.00 C +ATOM 3777 O ARG 245 -2.653 18.148 0.948 1.00 0.00 O +ATOM 3778 N PHE 246 -4.714 19.069 0.884 1.00 0.00 N +ATOM 3779 HN PHE 246 -5.673 19.006 1.159 1.00 0.00 +ATOM 3780 CA PHE 246 -4.268 20.162 0.082 1.00 0.00 C +ATOM 3781 HA PHE 246 -3.350 19.876 -0.191 1.00 0.00 +ATOM 3782 CB PHE 246 -5.121 20.428 -1.169 1.00 0.00 C +ATOM 3783 HB1 PHE 246 -6.090 20.273 -0.977 1.00 0.00 +ATOM 3784 HB2 PHE 246 -4.991 21.365 -1.494 1.00 0.00 +ATOM 3785 CG PHE 246 -4.662 19.472 -2.213 1.00 0.00 C +ATOM 3786 CD1 PHE 246 -5.172 18.197 -2.290 1.00 0.00 C +ATOM 3787 HD1 PHE 246 -5.867 17.899 -1.636 1.00 0.00 +ATOM 3788 CE1 PHE 246 -4.731 17.330 -3.261 1.00 0.00 C +ATOM 3789 HE1 PHE 246 -5.111 16.406 -3.312 1.00 0.00 +ATOM 3790 CZ PHE 246 -3.771 17.724 -4.162 1.00 0.00 C +ATOM 3791 HZ PHE 246 -3.454 17.091 -4.868 1.00 0.00 +ATOM 3792 CD2 PHE 246 -3.694 19.855 -3.114 1.00 0.00 C +ATOM 3793 HD2 PHE 246 -3.308 20.776 -3.059 1.00 0.00 +ATOM 3794 CE2 PHE 246 -3.250 18.994 -4.086 1.00 0.00 C +ATOM 3795 HE2 PHE 246 -2.550 19.289 -4.736 1.00 0.00 +ATOM 3796 C PHE 246 -4.255 21.390 0.913 1.00 0.00 C +ATOM 3797 O PHE 246 -4.878 21.465 1.971 1.00 0.00 O +ATOM 3798 N ASN 247 -3.453 22.366 0.456 1.00 0.00 N +ATOM 3799 HN ASN 247 -2.933 22.205 -0.383 1.00 0.00 +ATOM 3800 CA ASN 247 -3.311 23.625 1.118 1.00 0.00 C +ATOM 3801 HA ASN 247 -3.117 23.391 2.071 1.00 0.00 +ATOM 3802 CB ASN 247 -2.167 24.463 0.524 1.00 0.00 C +ATOM 3803 HB1 ASN 247 -1.354 23.893 0.401 1.00 0.00 +ATOM 3804 HB2 ASN 247 -2.444 24.843 -0.358 1.00 0.00 +ATOM 3805 CG ASN 247 -1.851 25.595 1.486 1.00 0.00 C +ATOM 3806 OD1 ASN 247 -1.017 25.452 2.380 1.00 0.00 O +ATOM 3807 ND2 ASN 247 -2.533 26.755 1.296 1.00 0.00 N +ATOM 3808 HD21 ASN 247 -3.200 26.827 0.554 1.00 0.00 +ATOM 3809 HD22 ASN 247 -2.368 27.536 1.898 1.00 0.00 +ATOM 3810 C ASN 247 -4.594 24.385 0.994 1.00 0.00 C +ATOM 3811 O ASN 247 -5.026 25.041 1.942 1.00 0.00 O +ATOM 3812 N SER 248 -5.250 24.316 -0.183 1.00 0.00 N +ATOM 3813 HN SER 248 -4.909 23.737 -0.923 1.00 0.00 +ATOM 3814 CA SER 248 -6.447 25.090 -0.353 1.00 0.00 C +ATOM 3815 HA SER 248 -6.678 25.352 0.584 1.00 0.00 +ATOM 3816 CB SER 248 -6.245 26.335 -1.231 1.00 0.00 C +ATOM 3817 HB1 SER 248 -7.095 26.855 -1.312 1.00 0.00 +ATOM 3818 HB2 SER 248 -5.529 26.923 -0.856 1.00 0.00 +ATOM 3819 OG SER 248 -5.847 25.956 -2.540 1.00 0.00 O +ATOM 3820 HG1 SER 248 -5.719 26.775 -3.100 1.00 0.00 +ATOM 3821 C SER 248 -7.517 24.246 -0.978 1.00 0.00 C +ATOM 3822 O SER 248 -7.253 23.172 -1.519 1.00 0.00 O +ATOM 3823 N HIS 249 -8.774 24.729 -0.885 1.00 0.00 N +ATOM 3824 HN HIS 249 -8.895 25.628 -0.465 1.00 0.00 +ATOM 3825 CA HIS 249 -9.952 24.045 -1.346 1.00 0.00 C +ATOM 3826 HA HIS 249 -9.834 23.147 -0.922 1.00 0.00 +ATOM 3827 CB HIS 249 -11.255 24.736 -0.907 1.00 0.00 C +ATOM 3828 HB1 HIS 249 -11.246 24.849 0.087 1.00 0.00 +ATOM 3829 HB2 HIS 249 -11.312 25.634 -1.344 1.00 0.00 +ATOM 3830 ND1 HIS 249 -13.031 23.930 -2.540 1.00 0.00 N +ATOM 3831 CG HIS 249 -12.489 23.961 -1.275 1.00 0.00 C +ATOM 3832 CE1 HIS 249 -14.143 23.155 -2.474 1.00 0.00 C +ATOM 3833 HE1 HIS 249 -14.736 22.962 -3.256 1.00 0.00 +ATOM 3834 NE2 HIS 249 -14.352 22.685 -1.257 1.00 0.00 N +ATOM 3835 HE2 HIS 249 -15.098 22.095 -0.948 1.00 0.00 +ATOM 3836 CD2 HIS 249 -13.306 23.192 -0.505 1.00 0.00 C +ATOM 3837 HD2 HIS 249 -13.170 23.017 0.470 1.00 0.00 +ATOM 3838 C HIS 249 -9.992 23.929 -2.840 1.00 0.00 C +ATOM 3839 O HIS 249 -10.392 22.897 -3.379 1.00 0.00 O +ATOM 3840 N GLU 250 -9.598 24.993 -3.558 1.00 0.00 N +ATOM 3841 HN GLU 250 -9.262 25.809 -3.088 1.00 0.00 +ATOM 3842 CA GLU 250 -9.653 24.973 -4.987 1.00 0.00 C +ATOM 3843 HA GLU 250 -10.603 24.749 -5.205 1.00 0.00 +ATOM 3844 CB GLU 250 -9.295 26.327 -5.624 1.00 0.00 C +ATOM 3845 HB1 GLU 250 -9.299 26.217 -6.618 1.00 0.00 +ATOM 3846 HB2 GLU 250 -9.993 26.993 -5.359 1.00 0.00 +ATOM 3847 CG GLU 250 -7.931 26.884 -5.216 1.00 0.00 C +ATOM 3848 HG1 GLU 250 -7.267 26.138 -5.165 1.00 0.00 +ATOM 3849 HG2 GLU 250 -7.628 27.555 -5.892 1.00 0.00 +ATOM 3850 CD GLU 250 -8.050 27.555 -3.850 1.00 0.00 C +ATOM 3851 OE1 GLU 250 -9.163 27.545 -3.260 1.00 0.00 O +ATOM 3852 OE2 GLU 250 -7.017 28.099 -3.381 1.00 0.00 O +ATOM 3853 C GLU 250 -8.715 23.917 -5.469 1.00 0.00 C +ATOM 3854 O GLU 250 -9.025 23.174 -6.400 1.00 0.00 O +ATOM 3855 N SER 251 -7.546 23.809 -4.813 1.00 0.00 N +ATOM 3856 HN SER 251 -7.358 24.427 -4.050 1.00 0.00 +ATOM 3857 CA SER 251 -6.563 22.834 -5.177 1.00 0.00 C +ATOM 3858 HA SER 251 -6.320 23.070 -6.118 1.00 0.00 +ATOM 3859 CB SER 251 -5.338 22.857 -4.247 1.00 0.00 C +ATOM 3860 HB1 SER 251 -5.615 22.770 -3.290 1.00 0.00 +ATOM 3861 HB2 SER 251 -4.701 22.122 -4.478 1.00 0.00 +ATOM 3862 OG SER 251 -4.642 24.087 -4.382 1.00 0.00 O +ATOM 3863 HG1 SER 251 -3.849 24.090 -3.773 1.00 0.00 +ATOM 3864 C SER 251 -7.176 21.477 -5.037 1.00 0.00 C +ATOM 3865 O SER 251 -6.974 20.608 -5.882 1.00 0.00 O +ATOM 3866 N ALA 252 -7.938 21.258 -3.952 1.00 0.00 N +ATOM 3867 HN ALA 252 -8.102 22.008 -3.311 1.00 0.00 +ATOM 3868 CA ALA 252 -8.521 19.973 -3.693 1.00 0.00 C +ATOM 3869 HA ALA 252 -7.726 19.368 -3.738 1.00 0.00 +ATOM 3870 CB ALA 252 -9.211 19.890 -2.321 1.00 0.00 C +ATOM 3871 HB1 ALA 252 -9.597 18.976 -2.197 1.00 0.00 +ATOM 3872 HB2 ALA 252 -8.542 20.070 -1.600 1.00 0.00 +ATOM 3873 HB3 ALA 252 -9.943 20.570 -2.274 1.00 0.00 +ATOM 3874 C ALA 252 -9.534 19.624 -4.742 1.00 0.00 C +ATOM 3875 O ALA 252 -9.581 18.484 -5.200 1.00 0.00 O +ATOM 3876 N ALA 253 -10.380 20.597 -5.134 1.00 0.00 N +ATOM 3877 HN ALA 253 -10.275 21.508 -4.734 1.00 0.00 +ATOM 3878 CA ALA 253 -11.428 20.389 -6.101 1.00 0.00 C +ATOM 3879 HA ALA 253 -11.933 19.607 -5.736 1.00 0.00 +ATOM 3880 CB ALA 253 -12.355 21.605 -6.267 1.00 0.00 C +ATOM 3881 HB1 ALA 253 -13.057 21.398 -6.948 1.00 0.00 +ATOM 3882 HB2 ALA 253 -12.791 21.814 -5.392 1.00 0.00 +ATOM 3883 HB3 ALA 253 -11.819 22.394 -6.569 1.00 0.00 +ATOM 3884 C ALA 253 -10.813 20.105 -7.434 1.00 0.00 C +ATOM 3885 O ALA 253 -11.309 19.294 -8.211 1.00 0.00 O +ATOM 3886 N HIS 254 -9.708 20.792 -7.745 1.00 0.00 N +ATOM 3887 HN HIS 254 -9.341 21.452 -7.090 1.00 0.00 +ATOM 3888 CA HIS 254 -9.041 20.601 -8.997 1.00 0.00 C +ATOM 3889 HA HIS 254 -9.731 20.807 -9.691 1.00 0.00 +ATOM 3890 CB HIS 254 -7.804 21.516 -9.111 1.00 0.00 C +ATOM 3891 HB1 HIS 254 -8.097 22.465 -8.996 1.00 0.00 +ATOM 3892 HB2 HIS 254 -7.161 21.275 -8.384 1.00 0.00 +ATOM 3893 ND1 HIS 254 -7.494 22.012 -11.583 1.00 0.00 N +ATOM 3894 CG HIS 254 -7.062 21.430 -10.414 1.00 0.00 C +ATOM 3895 CE1 HIS 254 -6.549 21.756 -12.523 1.00 0.00 C +ATOM 3896 HE1 HIS 254 -6.608 22.067 -13.472 1.00 0.00 +ATOM 3897 NE2 HIS 254 -5.543 21.050 -12.041 1.00 0.00 N +ATOM 3898 HE2 HIS 254 -4.728 20.735 -12.527 1.00 0.00 +ATOM 3899 CD2 HIS 254 -5.870 20.844 -10.712 1.00 0.00 C +ATOM 3900 HD2 HIS 254 -5.308 20.335 -10.060 1.00 0.00 +ATOM 3901 C HIS 254 -8.564 19.182 -9.082 1.00 0.00 C +ATOM 3902 O HIS 254 -8.681 18.541 -10.125 1.00 0.00 O +ATOM 3903 N ALA 255 -8.017 18.647 -7.975 1.00 0.00 N +ATOM 3904 HN ALA 255 -8.014 19.186 -7.133 1.00 0.00 +ATOM 3905 CA ALA 255 -7.438 17.333 -7.954 1.00 0.00 C +ATOM 3906 HA ALA 255 -6.752 17.373 -8.681 1.00 0.00 +ATOM 3907 CB ALA 255 -6.815 16.998 -6.586 1.00 0.00 C +ATOM 3908 HB1 ALA 255 -6.424 16.078 -6.614 1.00 0.00 +ATOM 3909 HB2 ALA 255 -6.095 17.660 -6.377 1.00 0.00 +ATOM 3910 HB3 ALA 255 -7.521 17.039 -5.879 1.00 0.00 +ATOM 3911 C ALA 255 -8.477 16.296 -8.246 1.00 0.00 C +ATOM 3912 O ALA 255 -8.250 15.381 -9.038 1.00 0.00 O +ATOM 3913 N ILE 256 -9.656 16.426 -7.618 1.00 0.00 N +ATOM 3914 HN ILE 256 -9.792 17.212 -7.015 1.00 0.00 +ATOM 3915 CA ILE 256 -10.730 15.488 -7.772 1.00 0.00 C +ATOM 3916 HA ILE 256 -10.342 14.580 -7.616 1.00 0.00 +ATOM 3917 CB ILE 256 -11.786 15.719 -6.721 1.00 0.00 C +ATOM 3918 HB ILE 256 -12.604 15.178 -6.919 1.00 0.00 +ATOM 3919 CG2 ILE 256 -11.240 15.270 -5.358 1.00 0.00 C +ATOM 3920 HG21 ILE 256 -11.935 15.420 -4.655 1.00 0.00 +ATOM 3921 HG22 ILE 256 -11.008 14.298 -5.396 1.00 0.00 +ATOM 3922 HG23 ILE 256 -10.421 15.800 -5.136 1.00 0.00 +ATOM 3923 CG1 ILE 256 -12.193 17.189 -6.744 1.00 0.00 C +ATOM 3924 HG11 ILE 256 -11.359 17.740 -6.766 1.00 0.00 +ATOM 3925 HG12 ILE 256 -12.721 17.350 -7.578 1.00 0.00 +ATOM 3926 CD ILE 256 -13.030 17.661 -5.567 1.00 0.00 C +ATOM 3927 HD1 ILE 256 -13.242 18.632 -5.677 1.00 0.00 +ATOM 3928 HD2 ILE 256 -13.880 17.136 -5.531 1.00 0.00 +ATOM 3929 HD3 ILE 256 -12.518 17.526 -4.719 1.00 0.00 +ATOM 3930 C ILE 256 -11.250 15.493 -9.179 1.00 0.00 C +ATOM 3931 O ILE 256 -11.477 14.428 -9.749 1.00 0.00 O +ATOM 3932 N VAL 257 -11.416 16.670 -9.808 1.00 0.00 N +ATOM 3933 HN VAL 257 -11.172 17.527 -9.354 1.00 0.00 +ATOM 3934 CA VAL 257 -11.949 16.677 -11.141 1.00 0.00 C +ATOM 3935 HA VAL 257 -12.835 16.225 -11.033 1.00 0.00 +ATOM 3936 CB VAL 257 -12.170 18.051 -11.717 1.00 0.00 C +ATOM 3937 HB VAL 257 -12.509 17.987 -12.656 1.00 0.00 +ATOM 3938 CG1 VAL 257 -13.241 18.757 -10.874 1.00 0.00 C +ATOM 3939 HG11 VAL 257 -13.403 19.673 -11.240 1.00 0.00 +ATOM 3940 HG12 VAL 257 -14.090 18.230 -10.905 1.00 0.00 +ATOM 3941 HG13 VAL 257 -12.927 18.827 -9.927 1.00 0.00 +ATOM 3942 CG2 VAL 257 -10.836 18.810 -11.795 1.00 0.00 C +ATOM 3943 HG21 VAL 257 -10.992 19.720 -12.178 1.00 0.00 +ATOM 3944 HG22 VAL 257 -10.448 18.897 -10.878 1.00 0.00 +ATOM 3945 HG23 VAL 257 -10.200 18.307 -12.380 1.00 0.00 +ATOM 3946 C VAL 257 -11.016 15.945 -12.050 1.00 0.00 C +ATOM 3947 O VAL 257 -11.451 15.222 -12.944 1.00 0.00 O +ATOM 3948 N SER 258 -9.702 16.158 -11.871 1.00 0.00 N +ATOM 3949 HN SER 258 -9.409 16.757 -11.126 1.00 0.00 +ATOM 3950 CA SER 258 -8.702 15.557 -12.710 1.00 0.00 C +ATOM 3951 HA SER 258 -9.107 15.689 -13.615 1.00 0.00 +ATOM 3952 CB SER 258 -7.335 16.242 -12.568 1.00 0.00 C +ATOM 3953 HB1 SER 258 -7.047 16.272 -11.611 1.00 0.00 +ATOM 3954 HB2 SER 258 -6.640 15.770 -13.110 1.00 0.00 +ATOM 3955 OG SER 258 -7.418 17.579 -13.038 1.00 0.00 O +ATOM 3956 HG1 SER 258 -6.526 18.021 -12.944 1.00 0.00 +ATOM 3957 C SER 258 -8.508 14.088 -12.439 1.00 0.00 C +ATOM 3958 O SER 258 -8.557 13.274 -13.357 1.00 0.00 O +ATOM 3959 N VAL 259 -8.267 13.723 -11.163 1.00 0.00 N +ATOM 3960 HN VAL 259 -8.331 14.432 -10.461 1.00 0.00 +ATOM 3961 CA VAL 259 -7.923 12.385 -10.730 1.00 0.00 C +ATOM 3962 HA VAL 259 -7.236 12.138 -11.414 1.00 0.00 +ATOM 3963 CB VAL 259 -7.352 12.357 -9.342 1.00 0.00 C +ATOM 3964 HB VAL 259 -7.999 12.726 -8.675 1.00 0.00 +ATOM 3965 CG1 VAL 259 -7.078 10.890 -8.965 1.00 0.00 C +ATOM 3966 HG11 VAL 259 -6.696 10.849 -8.042 1.00 0.00 +ATOM 3967 HG12 VAL 259 -7.933 10.373 -8.996 1.00 0.00 +ATOM 3968 HG13 VAL 259 -6.426 10.495 -9.613 1.00 0.00 +ATOM 3969 CG2 VAL 259 -6.097 13.249 -9.319 1.00 0.00 C +ATOM 3970 HG21 VAL 259 -5.701 13.244 -8.401 1.00 0.00 +ATOM 3971 HG22 VAL 259 -5.427 12.898 -9.973 1.00 0.00 +ATOM 3972 HG23 VAL 259 -6.348 14.184 -9.568 1.00 0.00 +ATOM 3973 C VAL 259 -9.063 11.403 -10.776 1.00 0.00 C +ATOM 3974 O VAL 259 -8.858 10.203 -10.945 1.00 0.00 O +ATOM 3975 N ASN 260 -10.303 11.895 -10.669 1.00 0.00 N +ATOM 3976 HN ASN 260 -10.409 12.886 -10.750 1.00 0.00 +ATOM 3977 CA ASN 260 -11.496 11.123 -10.448 1.00 0.00 C +ATOM 3978 HA ASN 260 -11.286 10.723 -9.556 1.00 0.00 +ATOM 3979 CB ASN 260 -12.743 12.022 -10.480 1.00 0.00 C +ATOM 3980 HB1 ASN 260 -12.539 12.900 -10.047 1.00 0.00 +ATOM 3981 HB2 ASN 260 -13.026 12.175 -11.427 1.00 0.00 +ATOM 3982 CG ASN 260 -13.868 11.335 -9.721 1.00 0.00 C +ATOM 3983 OD1 ASN 260 -13.709 10.238 -9.187 1.00 0.00 O +ATOM 3984 ND2 ASN 260 -15.037 12.021 -9.650 1.00 0.00 N +ATOM 3985 HD21 ASN 260 -15.117 12.919 -10.082 1.00 0.00 +ATOM 3986 HD22 ASN 260 -15.819 11.628 -9.166 1.00 0.00 +ATOM 3987 C ASN 260 -11.736 10.011 -11.442 1.00 0.00 C +ATOM 3988 O ASN 260 -12.635 9.213 -11.239 1.00 0.00 O +ATOM 3989 N GLY 261 -11.199 10.071 -12.659 1.00 0.00 N +ATOM 3990 HN GLY 261 -10.677 10.889 -12.900 1.00 0.00 +ATOM 3991 CA GLY 261 -11.323 9.030 -13.653 1.00 0.00 C +ATOM 3992 HA1 GLY 261 -12.141 8.500 -13.428 1.00 0.00 +ATOM 3993 HA2 GLY 261 -11.449 9.478 -14.538 1.00 0.00 +ATOM 3994 C GLY 261 -10.174 8.100 -13.756 1.00 0.00 C +ATOM 3995 O GLY 261 -10.312 6.988 -14.258 1.00 0.00 O +ATOM 3996 N THR 262 -9.002 8.620 -13.371 1.00 0.00 N +ATOM 3997 HN THR 262 -9.047 9.437 -12.796 1.00 0.00 +ATOM 3998 CA THR 262 -7.693 8.140 -13.689 1.00 0.00 C +ATOM 3999 HA THR 262 -7.657 8.163 -14.688 1.00 0.00 +ATOM 4000 CB THR 262 -6.663 9.033 -13.046 1.00 0.00 C +ATOM 4001 HB THR 262 -6.759 8.987 -12.052 1.00 0.00 +ATOM 4002 OG1 THR 262 -6.910 10.376 -13.431 1.00 0.00 O +ATOM 4003 HG1 THR 262 -6.230 10.975 -13.008 1.00 0.00 +ATOM 4004 CG2 THR 262 -5.245 8.651 -13.486 1.00 0.00 C +ATOM 4005 HG21 THR 262 -4.584 9.258 -13.045 1.00 0.00 +ATOM 4006 HG22 THR 262 -5.057 7.705 -13.221 1.00 0.00 +ATOM 4007 HG23 THR 262 -5.169 8.740 -14.479 1.00 0.00 +ATOM 4008 C THR 262 -7.465 6.735 -13.246 1.00 0.00 C +ATOM 4009 O THR 262 -8.222 6.161 -12.467 1.00 0.00 O +ATOM 4010 N THR 263 -6.412 6.120 -13.816 1.00 0.00 N +ATOM 4011 HN THR 263 -5.889 6.586 -14.530 1.00 0.00 +ATOM 4012 CA THR 263 -6.041 4.810 -13.406 1.00 0.00 C +ATOM 4013 HA THR 263 -6.700 4.559 -12.697 1.00 0.00 +ATOM 4014 CB THR 263 -6.132 3.788 -14.497 1.00 0.00 C +ATOM 4015 HB THR 263 -7.026 3.840 -14.943 1.00 0.00 +ATOM 4016 OG1 THR 263 -6.061 2.489 -13.937 1.00 0.00 O +ATOM 4017 HG1 THR 263 -6.122 1.808 -14.667 1.00 0.00 +ATOM 4018 CG2 THR 263 -4.980 3.989 -15.493 1.00 0.00 C +ATOM 4019 HG21 THR 263 -5.044 3.305 -16.220 1.00 0.00 +ATOM 4020 HG22 THR 263 -5.039 4.905 -15.891 1.00 0.00 +ATOM 4021 HG23 THR 263 -4.106 3.888 -15.017 1.00 0.00 +ATOM 4022 C THR 263 -4.622 4.886 -12.934 1.00 0.00 C +ATOM 4023 O THR 263 -3.772 5.512 -13.568 1.00 0.00 O +ATOM 4024 N ILE 264 -4.349 4.262 -11.769 1.00 0.00 N +ATOM 4025 HN ILE 264 -5.093 3.787 -11.298 1.00 0.00 +ATOM 4026 CA ILE 264 -3.046 4.246 -11.173 1.00 0.00 C +ATOM 4027 HA ILE 264 -2.502 4.905 -11.692 1.00 0.00 +ATOM 4028 CB ILE 264 -3.078 4.607 -9.712 1.00 0.00 C +ATOM 4029 HB ILE 264 -3.686 3.977 -9.229 1.00 0.00 +ATOM 4030 CG2 ILE 264 -1.657 4.457 -9.141 1.00 0.00 C +ATOM 4031 HG21 ILE 264 -1.661 4.694 -8.169 1.00 0.00 +ATOM 4032 HG22 ILE 264 -1.351 3.511 -9.252 1.00 0.00 +ATOM 4033 HG23 ILE 264 -1.035 5.068 -9.630 1.00 0.00 +ATOM 4034 CG1 ILE 264 -3.673 6.008 -9.504 1.00 0.00 C +ATOM 4035 HG11 ILE 264 -4.588 6.028 -9.907 1.00 0.00 +ATOM 4036 HG12 ILE 264 -3.738 6.183 -8.522 1.00 0.00 +ATOM 4037 CD ILE 264 -2.848 7.127 -10.135 1.00 0.00 C +ATOM 4038 HD1 ILE 264 -3.291 8.006 -9.962 1.00 0.00 +ATOM 4039 HD2 ILE 264 -1.931 7.131 -9.735 1.00 0.00 +ATOM 4040 HD3 ILE 264 -2.781 6.976 -11.121 1.00 0.00 +ATOM 4041 C ILE 264 -2.574 2.824 -11.216 1.00 0.00 C +ATOM 4042 O ILE 264 -3.171 1.951 -10.588 1.00 0.00 O +ATOM 4043 N GLU 265 -1.505 2.557 -11.993 1.00 0.00 N +ATOM 4044 HN GLU 265 -1.135 3.298 -12.553 1.00 0.00 +ATOM 4045 CA GLU 265 -0.866 1.273 -12.065 1.00 0.00 C +ATOM 4046 HA GLU 265 -0.295 1.382 -12.878 1.00 0.00 +ATOM 4047 CB GLU 265 0.008 0.952 -10.828 1.00 0.00 C +ATOM 4048 HB1 GLU 265 0.378 0.030 -10.939 1.00 0.00 +ATOM 4049 HB2 GLU 265 0.759 1.611 -10.798 1.00 0.00 +ATOM 4050 CG GLU 265 -0.713 1.005 -9.475 1.00 0.00 C +ATOM 4051 HG1 GLU 265 -0.081 1.327 -8.769 1.00 0.00 +ATOM 4052 HG2 GLU 265 -1.493 1.628 -9.533 1.00 0.00 +ATOM 4053 CD GLU 265 -1.207 -0.389 -9.113 1.00 0.00 C +ATOM 4054 OE1 GLU 265 -0.522 -1.377 -9.490 1.00 0.00 O +ATOM 4055 OE2 GLU 265 -2.273 -0.482 -8.448 1.00 0.00 O +ATOM 4056 C GLU 265 -1.851 0.167 -12.306 1.00 0.00 C +ATOM 4057 O GLU 265 -1.656 -0.951 -11.829 1.00 0.00 O +ATOM 4058 N GLY 266 -2.909 0.420 -13.100 1.00 0.00 N +ATOM 4059 HN GLY 266 -3.057 1.339 -13.464 1.00 0.00 +ATOM 4060 CA GLY 266 -3.824 -0.641 -13.420 1.00 0.00 C +ATOM 4061 HA1 GLY 266 -4.007 -0.609 -14.403 1.00 0.00 +ATOM 4062 HA2 GLY 266 -3.385 -1.510 -13.191 1.00 0.00 +ATOM 4063 C GLY 266 -5.106 -0.500 -12.657 1.00 0.00 C +ATOM 4064 O GLY 266 -6.142 -0.994 -13.099 1.00 0.00 O +ATOM 4065 N HIS 267 -5.098 0.184 -11.501 1.00 0.00 N +ATOM 4066 HN HIS 267 -4.260 0.597 -11.144 1.00 0.00 +ATOM 4067 CA HIS 267 -6.346 0.295 -10.801 1.00 0.00 C +ATOM 4068 HA HIS 267 -6.865 -0.485 -11.151 1.00 0.00 +ATOM 4069 CB HIS 267 -6.231 0.211 -9.271 1.00 0.00 C +ATOM 4070 HB1 HIS 267 -5.482 0.799 -8.966 1.00 0.00 +ATOM 4071 HB2 HIS 267 -7.088 0.522 -8.860 1.00 0.00 +ATOM 4072 ND1 HIS 267 -4.711 -1.755 -8.717 1.00 0.00 N +ATOM 4073 HD1 HIS 267 -3.846 -1.338 -8.995 1.00 0.00 +ATOM 4074 CG HIS 267 -5.959 -1.177 -8.778 1.00 0.00 C +ATOM 4075 CE1 HIS 267 -4.883 -3.001 -8.206 1.00 0.00 C +ATOM 4076 HE1 HIS 267 -4.136 -3.647 -8.051 1.00 0.00 +ATOM 4077 NE2 HIS 267 -6.149 -3.262 -7.937 1.00 0.00 N +ATOM 4078 CD2 HIS 267 -6.827 -2.110 -8.300 1.00 0.00 C +ATOM 4079 HD2 HIS 267 -7.816 -1.982 -8.222 1.00 0.00 +ATOM 4080 C HIS 267 -6.962 1.612 -11.128 1.00 0.00 C +ATOM 4081 O HIS 267 -6.308 2.654 -11.074 1.00 0.00 O +ATOM 4082 N VAL 268 -8.259 1.591 -11.499 1.00 0.00 N +ATOM 4083 HN VAL 268 -8.754 0.725 -11.569 1.00 0.00 +ATOM 4084 CA VAL 268 -8.915 2.833 -11.792 1.00 0.00 C +ATOM 4085 HA VAL 268 -8.272 3.348 -12.358 1.00 0.00 +ATOM 4086 CB VAL 268 -10.191 2.692 -12.574 1.00 0.00 C +ATOM 4087 HB VAL 268 -10.818 2.060 -12.119 1.00 0.00 +ATOM 4088 CG1 VAL 268 -10.886 4.064 -12.646 1.00 0.00 C +ATOM 4089 HG11 VAL 268 -11.737 3.980 -13.165 1.00 0.00 +ATOM 4090 HG12 VAL 268 -11.090 4.383 -11.721 1.00 0.00 +ATOM 4091 HG13 VAL 268 -10.282 4.720 -13.099 1.00 0.00 +ATOM 4092 CG2 VAL 268 -9.842 2.116 -13.959 1.00 0.00 C +ATOM 4093 HG21 VAL 268 -10.678 2.014 -14.498 1.00 0.00 +ATOM 4094 HG22 VAL 268 -9.216 2.737 -14.430 1.00 0.00 +ATOM 4095 HG23 VAL 268 -9.405 1.223 -13.848 1.00 0.00 +ATOM 4096 C VAL 268 -9.229 3.468 -10.481 1.00 0.00 C +ATOM 4097 O VAL 268 -9.856 2.870 -9.609 1.00 0.00 O +ATOM 4098 N VAL 269 -8.791 4.725 -10.312 1.00 0.00 N +ATOM 4099 HN VAL 269 -8.337 5.204 -11.063 1.00 0.00 +ATOM 4100 CA VAL 269 -8.976 5.374 -9.055 1.00 0.00 C +ATOM 4101 HA VAL 269 -9.107 4.598 -8.439 1.00 0.00 +ATOM 4102 CB VAL 269 -7.798 6.188 -8.623 1.00 0.00 C +ATOM 4103 HB VAL 269 -7.979 6.651 -7.755 1.00 0.00 +ATOM 4104 CG1 VAL 269 -6.614 5.231 -8.410 1.00 0.00 C +ATOM 4105 HG11 VAL 269 -5.812 5.753 -8.120 1.00 0.00 +ATOM 4106 HG12 VAL 269 -6.849 4.562 -7.705 1.00 0.00 +ATOM 4107 HG13 VAL 269 -6.411 4.756 -9.266 1.00 0.00 +ATOM 4108 CG2 VAL 269 -7.539 7.282 -9.673 1.00 0.00 C +ATOM 4109 HG21 VAL 269 -6.752 7.833 -9.394 1.00 0.00 +ATOM 4110 HG22 VAL 269 -7.350 6.857 -10.558 1.00 0.00 +ATOM 4111 HG23 VAL 269 -8.346 7.868 -9.750 1.00 0.00 +ATOM 4112 C VAL 269 -10.159 6.272 -9.074 1.00 0.00 C +ATOM 4113 O VAL 269 -10.579 6.777 -10.118 1.00 0.00 O +ATOM 4114 N LYS 270 -10.743 6.462 -7.875 1.00 0.00 N +ATOM 4115 HN LYS 270 -10.416 5.981 -7.062 1.00 0.00 +ATOM 4116 CA LYS 270 -11.841 7.368 -7.799 1.00 0.00 C +ATOM 4117 HA LYS 270 -11.872 7.810 -8.696 1.00 0.00 +ATOM 4118 CB LYS 270 -13.186 6.688 -7.558 1.00 0.00 C +ATOM 4119 HB1 LYS 270 -13.293 5.939 -8.212 1.00 0.00 +ATOM 4120 HB2 LYS 270 -13.204 6.323 -6.627 1.00 0.00 +ATOM 4121 CG LYS 270 -14.346 7.655 -7.727 1.00 0.00 C +ATOM 4122 HG1 LYS 270 -14.556 8.073 -6.843 1.00 0.00 +ATOM 4123 HG2 LYS 270 -14.088 8.367 -8.380 1.00 0.00 +ATOM 4124 CD LYS 270 -15.578 6.933 -8.241 1.00 0.00 C +ATOM 4125 HD1 LYS 270 -15.845 6.233 -7.579 1.00 0.00 +ATOM 4126 HD2 LYS 270 -16.322 7.593 -8.346 1.00 0.00 +ATOM 4127 CE LYS 270 -15.299 6.271 -9.589 1.00 0.00 C +ATOM 4128 HE1 LYS 270 -14.883 5.372 -9.450 1.00 0.00 +ATOM 4129 HE2 LYS 270 -16.151 6.168 -10.103 1.00 0.00 +ATOM 4130 NZ LYS 270 -14.366 7.113 -10.375 1.00 0.00 N +ATOM 4131 HZ1 LYS 270 -14.186 6.677 -11.257 1.00 0.00 +ATOM 4132 HZ2 LYS 270 -14.775 8.013 -10.526 1.00 0.00 +ATOM 4133 HZ3 LYS 270 -13.508 7.217 -9.873 1.00 0.00 +ATOM 4134 C LYS 270 -11.551 8.333 -6.703 1.00 0.00 C +ATOM 4135 O LYS 270 -11.001 7.971 -5.666 1.00 0.00 O +ATOM 4136 N CYS 271 -11.894 9.615 -6.916 1.00 0.00 N +ATOM 4137 HN CYS 271 -12.377 9.881 -7.750 1.00 0.00 +ATOM 4138 CA CYS 271 -11.556 10.588 -5.931 1.00 0.00 C +ATOM 4139 HA CYS 271 -11.339 10.044 -5.120 1.00 0.00 +ATOM 4140 CB CYS 271 -10.371 11.467 -6.343 1.00 0.00 C +ATOM 4141 HB1 CYS 271 -10.640 11.887 -7.210 1.00 0.00 +ATOM 4142 HB2 CYS 271 -10.305 12.172 -5.637 1.00 0.00 +ATOM 4143 SG CYS 271 -8.850 10.488 -6.490 1.00 0.00 S +ATOM 4144 HG1 CYS 271 -8.094 11.085 -6.759 1.00 0.00 +ATOM 4145 C CYS 271 -12.721 11.481 -5.724 1.00 0.00 C +ATOM 4146 O CYS 271 -13.427 11.834 -6.668 1.00 0.00 O +ATOM 4147 N TYR 272 -12.946 11.839 -4.446 1.00 0.00 N +ATOM 4148 HN TYR 272 -12.334 11.482 -3.740 1.00 0.00 +ATOM 4149 CA TYR 272 -14.010 12.700 -4.044 1.00 0.00 C +ATOM 4150 HA TYR 272 -14.220 13.263 -4.843 1.00 0.00 +ATOM 4151 CB TYR 272 -15.263 11.958 -3.586 1.00 0.00 C +ATOM 4152 HB1 TYR 272 -15.044 11.328 -2.841 1.00 0.00 +ATOM 4153 HB2 TYR 272 -15.961 12.606 -3.281 1.00 0.00 +ATOM 4154 CG TYR 272 -15.778 11.189 -4.746 1.00 0.00 C +ATOM 4155 CD1 TYR 272 -16.075 11.829 -5.930 1.00 0.00 C +ATOM 4156 HD1 TYR 272 -15.920 12.813 -6.013 1.00 0.00 +ATOM 4157 CE1 TYR 272 -16.581 11.130 -6.996 1.00 0.00 C +ATOM 4158 HE1 TYR 272 -16.786 11.597 -7.856 1.00 0.00 +ATOM 4159 CZ TYR 272 -16.803 9.781 -6.868 1.00 0.00 C +ATOM 4160 OH TYR 272 -17.329 9.055 -7.950 1.00 0.00 O +ATOM 4161 HH TYR 272 -17.428 8.094 -7.690 1.00 0.00 +ATOM 4162 CD2 TYR 272 -15.999 9.839 -4.630 1.00 0.00 C +ATOM 4163 HD2 TYR 272 -15.792 9.370 -3.772 1.00 0.00 +ATOM 4164 CE2 TYR 272 -16.504 9.135 -5.694 1.00 0.00 C +ATOM 4165 HE2 TYR 272 -16.655 8.150 -5.614 1.00 0.00 +ATOM 4166 C TYR 272 -13.490 13.418 -2.843 1.00 0.00 C +ATOM 4167 O TYR 272 -12.290 13.379 -2.571 1.00 0.00 O +ATOM 4168 N TRP 273 -14.380 14.110 -2.100 1.00 0.00 N +ATOM 4169 HN TRP 273 -15.343 14.140 -2.369 1.00 0.00 +ATOM 4170 CA TRP 273 -13.938 14.802 -0.922 1.00 0.00 C +ATOM 4171 HA TRP 273 -13.143 15.296 -1.274 1.00 0.00 +ATOM 4172 CB TRP 273 -14.959 15.779 -0.308 1.00 0.00 C +ATOM 4173 HB1 TRP 273 -15.818 15.291 -0.156 1.00 0.00 +ATOM 4174 HB2 TRP 273 -14.603 16.107 0.567 1.00 0.00 +ATOM 4175 CG TRP 273 -15.263 16.985 -1.157 1.00 0.00 C +ATOM 4176 CD1 TRP 273 -16.443 17.369 -1.720 1.00 0.00 C +ATOM 4177 HD1 TRP 273 -17.312 16.884 -1.621 1.00 0.00 +ATOM 4178 NE1 TRP 273 -16.260 18.521 -2.444 1.00 0.00 N +ATOM 4179 HE1 TRP 273 -16.970 19.013 -2.948 1.00 0.00 +ATOM 4180 CE2 TRP 273 -14.935 18.886 -2.360 1.00 0.00 C +ATOM 4181 CD2 TRP 273 -14.281 17.949 -1.564 1.00 0.00 C +ATOM 4182 CE3 TRP 273 -12.942 18.038 -1.306 1.00 0.00 C +ATOM 4183 HE3 TRP 273 -12.474 17.358 -0.742 1.00 0.00 +ATOM 4184 CZ3 TRP 273 -12.263 19.103 -1.855 1.00 0.00 C +ATOM 4185 HZ3 TRP 273 -11.284 19.206 -1.678 1.00 0.00 +ATOM 4186 CZ2 TRP 273 -14.257 19.931 -2.918 1.00 0.00 C +ATOM 4187 HZ2 TRP 273 -14.719 20.599 -3.502 1.00 0.00 +ATOM 4188 CH2 TRP 273 -12.910 20.029 -2.645 1.00 0.00 C +ATOM 4189 HH2 TRP 273 -12.389 20.791 -3.030 1.00 0.00 +ATOM 4190 C TRP 273 -13.619 13.807 0.148 1.00 0.00 C +ATOM 4191 O TRP 273 -14.193 12.721 0.219 1.00 0.00 O +ATOM 4192 N GLY 274 -12.669 14.175 1.028 1.00 0.00 N +ATOM 4193 HN GLY 274 -12.239 15.073 0.937 1.00 0.00 +ATOM 4194 CA GLY 274 -12.261 13.305 2.093 1.00 0.00 C +ATOM 4195 HA1 GLY 274 -12.854 12.500 2.109 1.00 0.00 +ATOM 4196 HA2 GLY 274 -11.315 13.019 1.943 1.00 0.00 +ATOM 4197 C GLY 274 -12.386 14.080 3.359 1.00 0.00 C +ATOM 4198 O GLY 274 -12.892 15.199 3.375 1.00 0.00 O +ATOM 4199 N LYS 275 -11.940 13.497 4.480 1.00 0.00 N +ATOM 4200 HN LYS 275 -11.523 12.588 4.467 1.00 0.00 +ATOM 4201 CA LYS 275 -12.087 14.233 5.694 1.00 0.00 C +ATOM 4202 HA LYS 275 -12.664 15.016 5.464 1.00 0.00 +ATOM 4203 CB LYS 275 -12.764 13.417 6.813 1.00 0.00 C +ATOM 4204 HB1 LYS 275 -13.361 12.735 6.390 1.00 0.00 +ATOM 4205 HB2 LYS 275 -12.053 12.955 7.342 1.00 0.00 +ATOM 4206 CG LYS 275 -13.607 14.259 7.777 1.00 0.00 C +ATOM 4207 HG1 LYS 275 -14.461 14.507 7.319 1.00 0.00 +ATOM 4208 HG2 LYS 275 -13.811 13.707 8.586 1.00 0.00 +ATOM 4209 CD LYS 275 -12.919 15.541 8.233 1.00 0.00 C +ATOM 4210 HD1 LYS 275 -13.357 15.868 9.070 1.00 0.00 +ATOM 4211 HD2 LYS 275 -11.955 15.349 8.415 1.00 0.00 +ATOM 4212 CE LYS 275 -13.024 16.620 7.153 1.00 0.00 C +ATOM 4213 HE1 LYS 275 -12.597 16.297 6.309 1.00 0.00 +ATOM 4214 HE2 LYS 275 -13.985 16.833 6.980 1.00 0.00 +ATOM 4215 NZ LYS 275 -12.342 17.861 7.572 1.00 0.00 N +ATOM 4216 HZ1 LYS 275 -12.426 18.548 6.850 1.00 0.00 +ATOM 4217 HZ2 LYS 275 -12.764 18.206 8.411 1.00 0.00 +ATOM 4218 HZ3 LYS 275 -11.375 17.670 7.739 1.00 0.00 +ATOM 4219 C LYS 275 -10.665 14.575 6.144 1.00 0.00 C +ATOM 4220 OT1 LYS 275 -9.863 13.627 6.367 1.00 0.00 O +ATOM 4221 OT2 LYS 275 -10.353 15.788 6.265 1.00 0.00 O +TER +ENDMDL diff --git a/examples/slab_IDR_MDP/input/domains.yaml b/examples/slab_IDR_MDP/input/domains.yaml new file mode 100644 index 0000000..5cad63e --- /dev/null +++ b/examples/slab_IDR_MDP/input/domains.yaml @@ -0,0 +1,5 @@ +TIA1: + - [6,82] + - [95,172] + - [190,275] + diff --git a/examples/slab_IDR_MDP/input/idr.fasta b/examples/slab_IDR_MDP/input/idr.fasta new file mode 100644 index 0000000..b0db852 --- /dev/null +++ b/examples/slab_IDR_MDP/input/idr.fasta @@ -0,0 +1,2 @@ +>Tau35 +EPPKSGDRSGYSSPGSPGTPGSRSRTPSLPTPPTREPKKVAVVRTPPKSPSSAKSRLQTAPVPMPDLKNVKSKIGSTENLKHQPGGGKVQIINKKLDLSNVQSKCGSKDNIKHVPGGGSVQIVYKPVDLSKVTSKCGSLGNIHHKPGGGQVEVKSEKLDFKDRVQSKIGSLDNITHVPGGGNKKIETHKLTFRENAKAKTDHGAEIVYKSPVVSGDTSPRHLSNVSSTGSIDMVDSPQLATLADEVSASLAKQGL diff --git a/examples/slab_IDR_MDP/input/residues_CALVADOS3.csv b/examples/slab_IDR_MDP/input/residues_CALVADOS3.csv new file mode 100644 index 0000000..5444ee2 --- /dev/null +++ b/examples/slab_IDR_MDP/input/residues_CALVADOS3.csv @@ -0,0 +1,21 @@ +one,three,MW,lambdas,sigmas,q,bondlength +R,ARG,156.19,0.7407902764839954,0.656,1,0.38 +D,ASP,115.09,0.092587557536158,0.558,-1,0.38 +N,ASN,114.1,0.3706962163690402,0.568,0,0.38 +E,GLU,129.11,0.000249590539426,0.592,-1,0.38 +K,LYS,128.17,0.1380602542039267,0.636,1,0.38 +H,HIS,137.14,0.4087176216525476,0.608,0,0.38 +Q,GLN,128.13,0.3143449791669133,0.602,0,0.38 +S,SER,87.08,0.4473142572693176,0.518,0,0.38 +C,CYS,103.14,0.5922529084601322,0.548,0,0.38 +G,GLY,57.05,0.7538308115197386,0.45,0,0.38 +T,THR,101.11,0.2672387936544146,0.562,0,0.38 +A,ALA,71.07,0.3377244362031627,0.504,0,0.38 +M,MET,131.2,0.5170874160398543,0.618,0,0.38 +Y,TYR,163.18,0.950628687301107,0.646,0,0.38 +V,VAL,99.13,0.2936174211771383,0.586,0,0.38 +W,TRP,186.22,1.033450123574512,0.678,0,0.38 +L,LEU,113.16,0.5548615312993875,0.618,0,0.38 +I,ILE,113.16,0.5130398874425708,0.618,0,0.38 +P,PRO,97.12,0.3469777523519372,0.556,0,0.38 +F,PHE,147.18,0.8906449355499866,0.636,0,0.38 diff --git a/examples/slab_IDR_MDP/prepare.py b/examples/slab_IDR_MDP/prepare.py new file mode 100644 index 0000000..658dd6e --- /dev/null +++ b/examples/slab_IDR_MDP/prepare.py @@ -0,0 +1,99 @@ +import os +import pandas as pd +from calvados.cfg import Config, Job, Components +import subprocess +import numpy as np +from argparse import ArgumentParser + +parser = ArgumentParser() +parser.add_argument('--name_1',nargs='?',required=True,type=str) +parser.add_argument('--name_2',nargs='?',required=True,type=str) +args = parser.parse_args() + +cwd = os.getcwd() +sysname = f'{args.name_1:s}_{args.name_2:s}' + +# set the saving interval (number of integration steps) +N_save = 1000 + +# set final number of frames to save +N_frames = 1000 + +residues_file = f'{cwd}/input/residues_CALVADOS3.csv' + +config = Config( + # GENERAL + sysname = sysname, # name of simulation system + box = [20,20,270], # nm + temp = 293, # K + ionic = 0.15, # molar + pH = 7.0, # 7.5 + topol = 'slab', + slab_width = 40, + + # RUNTIME SETTINGS + wfreq = N_save, # dcd writing interval, 1 = 10 fs + steps = N_frames*N_save, # number of simulation steps + runtime = 0, # overwrites 'steps' keyword if > 0 + platform = 'CPU', # or CUDA + restart = 'checkpoint', + frestart = 'restart.chk', + verbose = True, +) + +# PATH +path = f'{cwd}/{sysname:s}' +subprocess.run(f'mkdir -p {path}',shell=True) +subprocess.run(f'mkdir -p data',shell=True) + +analyses = f""" +from calvados.analysis import SlabAnalysis, calc_com_traj, calc_contact_map + +slab = SlabAnalysis(name="{sysname:s}", input_path="{path:s}", + output_path="data", ref_name="{args.name_1:s}", ref_chains = (0, 99), + client_names = ['{args.name_2:s}'], client_chain_list = [(100,199)], + verbose=True) + +slab.center(start=100, center_target='ref') +slab.calc_profiles() +slab.calc_concentrations() +print(slab.df_results) +slab.plot_density_profiles() + +# calculate contact map between name_1 and name_2 +chainid_dict = dict({args.name_1:s} = (0,99), {args.name_2:s} = (100,199)) +calc_com_traj(path="{path:s}",sysname="{sysname:s}",output_path="data",residues_file="{residues_file:s}",chainid_dict=chainid_dict,start=100) +calc_contact_map(path="{path:s}",sysname="{sysname:s}",output_path="data",chainid_dict=chainid_dict,is_slab=True) + +# calculate contact map between name_1 and name_1 +chainid_dict = dict({args.name_1:s} = (0,99)) +calc_contact_map(path="{path:s}",sysname="{sysname:s}",output_path="data",chainid_dict=chainid_dict,is_slab=True) +""" + +config.write(path,name='config.yaml',analyses=analyses) + +components = Components( + # Defaults + molecule_type = 'protein', + nmol = 100, # number of molecules + restraint = True, # apply restraints + charge_termini = 'both', # charge N or C or both + + # INPUT + fresidues = residues_file, # residue definitions + ffasta = f'{cwd}/input/idr.fasta', # residue definitions + fdomains = f'{cwd}/input/domains.yaml', # domain definitions (harmonic restraints) + pdb_folder = f'{cwd}/input', # directory for pdb and PAE files + + # RESTRAINTS + restraint_type = 'harmonic', # harmonic or go + use_com = True, # apply on centers of mass instead of CA + colabfold = 1, # PAE format (EBI AF=0, Colabfold=1&2) + k_harmonic = 700., # Restraint force constant +) + +components.add(name=args.name_1, restraint=False, use_com=False) # no elastic network for IDR +components.add(name=args.name_2, ext_restraint=False) # no slab equilibration for MDP + +components.write(path,name='components.yaml') + diff --git a/examples/slab_IDR_PEG/README.md b/examples/slab_IDR_PEG/README.md new file mode 100644 index 0000000..6138743 --- /dev/null +++ b/examples/slab_IDR_PEG/README.md @@ -0,0 +1,29 @@ +The lines below run direct coexistence simulations of 100 copies of A1 LCD in PEG x % w/v + +```bash +python prepare.py --mw --wv --gpu_id +python PEG_/run.py --path PEG_ +``` + +For example, for 5 % w/v PEG400 + +```bash +python prepare.py --mw 400 --wv 5 --gpu_id 0 +python PEG400_5.00/run.py --path PEG400_5.00 +``` + +After running the simulation, the script analyses the trajectory and generates the following files in the `data` folder: + +```bash +PEG400_5_A1_rg_dilute.npy # Rg's of A1 LCD in the dilute phase +PEG400_5_A1_rg_dense.npy # Rg's of A1 LCD in the dense phase +PEG400_5_ps_results.csv # Concentrations of A1 LCD and PEG in the protein-rich and protein-dilute phases +PEG400_5_A1_dilute_array.npy # time series of the protein concentration in the dilute phase +PEG400_5_A1_dense_array.npy # time series of the protein concentration in the dense phase +PEG400_5_PEG400_dilute_array.npy # time series of the PEG concentration in the dilute phase +PEG400_5_PEG400_dense_array.npy # time series of the PEG concentration in the dense phase +PEG400_5_profiles.npy # contains three columns: z-coordinate, average protein-concentration profile, average PEG-concentration profile +PEG400_5_A1_profile.npy # per-frame protein-concentration profiles +PEG400_5_PEG_profile.npy # per-frame PEG-concentration profiles +PEG400_5_A1_A1_homotypic_cmap.npy # A1-A1 contact map +``` diff --git a/examples/slab_IDR_PEG/input/peg.fasta b/examples/slab_IDR_PEG/input/peg.fasta new file mode 100644 index 0000000..8e3c29c --- /dev/null +++ b/examples/slab_IDR_PEG/input/peg.fasta @@ -0,0 +1,14 @@ +>A1 +GSMASASSSQRGRSGSGNFGGGRGGGFGGNDNFGRGGNFSGRGGFGGSRG +GGGYGGSGDGYNGFGNDGSNFGGGGSYNDFGNYNNQSSNFGPMKGGNFGG +RSSGGSGGGGQYFAKPRNQGGYGGSSSSSSYGSGRRF +>aSyn +MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVH +GVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQL +GKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA +>PEG8000 +JJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJ +>PEG400 +JJJJJJJJJ +>PEG10000 +JJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJJ diff --git a/examples/slab_IDR_PEG/input/residues_C2PEG.csv b/examples/slab_IDR_PEG/input/residues_C2PEG.csv new file mode 100644 index 0000000..da9c428 --- /dev/null +++ b/examples/slab_IDR_PEG/input/residues_C2PEG.csv @@ -0,0 +1,22 @@ +one,three,MW,lambdas,sigmas,q,bondlength +R,ARG,156.19,0.730762476752,0.656,1,0.38 +D,ASP,115.09,0.041604048061,0.558,-1,0.38 +N,ASN,114.1,0.425585900979,0.568,0,0.38 +E,GLU,129.11,0.000693546096,0.592,-1,0.38 +K,LYS,128.17,0.179021173899,0.636,1,0.38 +H,HIS,137.14,0.466366729056,0.608,0,0.38 +Q,GLN,128.13,0.393431855106,0.602,0,0.38 +S,SER,87.08,0.462541681161,0.518,0,0.38 +C,CYS,103.14,0.561543509914,0.548,0,0.38 +G,GLY,57.05,0.705884373367,0.45,0,0.38 +T,THR,101.11,0.371316297627,0.562,0,0.38 +A,ALA,71.07,0.274329796904,0.504,0,0.38 +M,MET,131.2,0.530848113434,0.618,0,0.38 +Y,TYR,163.18,0.977461144934,0.646,0,0.38 +V,VAL,99.13,0.208376960817,0.586,0,0.38 +W,TRP,186.22,0.989376474037,0.678,0,0.38 +L,LEU,113.16,0.644000500778,0.618,0,0.38 +I,ILE,113.16,0.542362361067,0.618,0,0.38 +P,PRO,97.12,0.359312657636,0.556,0,0.38 +F,PHE,147.18,0.867235898206,0.636,0,0.38 +J,PEG,44.05,0.2,0.4,0,0.33 diff --git a/examples/slab_IDR_PEG/prepare.py b/examples/slab_IDR_PEG/prepare.py new file mode 100644 index 0000000..845bf62 --- /dev/null +++ b/examples/slab_IDR_PEG/prepare.py @@ -0,0 +1,102 @@ +import os +import pandas as pd +from calvados.cfg import Config, Job, Components +import subprocess +import numpy as np +from argparse import ArgumentParser +from scipy.constants import Avogadro + +def get_number_PEG_chains_wv(wv_fraction, mw_peg, volume_simulation_box): + """ wv_fraction: weight/volume fraction in g / 100 mL + mw_peg: MW of PEG in Da + volume_simulation_box: box volume in nm3""" + molarity_peg = wv_fraction*10/mw_peg # M + volume_simulation_box = volume_simulation_box*1e-24 # L + return int(np.round(molarity_peg*volume_simulation_box*Avogadro)) + +cwd = os.getcwd() + +# set the side length of the slab box +Lx = 15 +Ly = Lx +Lz = 150 + +# set the saving interval (number of integration steps) +N_save = 200 + +# set final number of frames to save +N_frames = 1 + +parser = ArgumentParser() +parser.add_argument('--mw',nargs='?',required=True,type=int) +parser.add_argument('--wv',nargs='?',required=True,type=float) +parser.add_argument('--gpu_id',nargs='?',required=True,type=int) +args = parser.parse_args() + +N_PEG = get_number_PEG_chains_wv(args.wv,args.mw,Lx*Ly*Lz) +sysname = f'PEG{args.mw:d}_{args.wv:.0f}' +residues_file = f'{cwd}/input/residues_C2PEG.csv' + +config = Config( + # GENERAL + sysname = sysname, # name of simulation system + box = [Lx, Lx, Lz], # nm + temp = 293.15, # 20 degrees Celsius + ionic = 0.15, # molar + pH = 7.5, # 7.5 + topol = 'slab', + fixed_lambda = 0.2, + slab_width = 20, + slab_outer = 25, + + # RUNTIME SETTINGS + wfreq = N_save, # dcd writing frequency, 1 = 10fs + steps = N_frames*N_save, # number of simulation steps + platform = 'CPU', # 'CUDA' + gpu_id = args.gpu_id, + restart = 'checkpoint', + frestart = 'restart.chk', + verbose = True, + slab_eq = True, + steps_eq = 100 +) + +# PATH +path = f'{cwd}/{sysname:s}' +subprocess.run(f'mkdir -p {path}',shell=True) +subprocess.run(f'mkdir -p data',shell=True) + +analyses = f""" +from calvados.analysis import SlabAnalysis, calc_com_traj, calc_contact_map + +slab = SlabAnalysis(name="{sysname:s}", input_path="{path:s}", + output_path="data", + ref_name = "A1", ref_chains = (0, 99), + client_names = ["PEG{args.mw:d}"], client_chain_list = [(100,{99+N_PEG:d})], + verbose=True) + +slab.center(start=0, center_target='ref') # center_target='ref' for centering only on A1 +slab.calc_profiles() +slab.calc_concentrations() +print(slab.df_results) +slab.plot_density_profiles() + +# homotypic cmap +chainid_dict = dict(A1 = (0,99)) +calc_com_traj(path="{path:s}",sysname="{sysname:s}",output_path="data",residues_file="{residues_file:s}",chainid_dict=chainid_dict) +calc_contact_map(path="{path:s}",sysname="{sysname:s}",output_path="data",chainid_dict=chainid_dict,is_slab=True) +""" + +config.write(path,name='config.yaml',analyses=analyses) + +components = Components( + # Defaults + restraint = False, # apply restraints + charge_termini = 'both', # charge N or C or both + fresidues = residues_file, # residue definitions + ffasta = f'{cwd}/input/peg.fasta' +) + +components.add(name='A1', molecule_type='protein', nmol=100) +components.add(name=f'PEG{args.mw:d}', molecule_type='crowder', nmol=N_PEG, charge_termini='none', ext_restraint=False) +components.write(path,name='components.yaml') diff --git a/examples/slab_MDP/prepare.py b/examples/slab_MDP/prepare.py index 2cf62a6..a3c0e84 100644 --- a/examples/slab_MDP/prepare.py +++ b/examples/slab_MDP/prepare.py @@ -16,6 +16,8 @@ sysname = f'{args.name:s}_{args.replica:d}' +residues_file = f'{cwd}/input/residues_CALVADOS3.csv' + config = Config( # GENERAL sysname = sysname, # name of simulation system @@ -45,9 +47,20 @@ subprocess.run(f'mkdir -p data',shell=True) analyses = f""" -from calvados.analysis import calc_slab_profiles +from calvados.analysis import SlabAnalysis, calc_com_traj, calc_contact_map + +slab = SlabAnalysis(name="{sysname:s}", input_path="{path:s}", + output_path="data", ref_name="{sysname:s}", verbose=True) + +slab.center(start=0, center_target='all') +slab.calc_profiles() +slab.calc_concentrations() +print(slab.df_results) +slab.plot_density_profiles() -calc_slab_profiles(path="{path:s}",name="{sysname:s}",output_folder="data",ref_atoms="all",start=0) +chainid_dict = dict({sysname:s} = (0,99)) +calc_com_traj(path="{path:s}",sysname="{sysname:s}",output_path="data",residues_file="{residues_file:s}",chainid_dict=chainid_dict) +calc_contact_map(path="{path:s}",sysname="{sysname:s}",output_path="data",chainid_dict=chainid_dict,is_slab=True) """ config.write(path,name='config.yaml',analyses=analyses) @@ -60,7 +73,7 @@ charge_termini = 'both', # charge N or C or both or none # INPUT - fresidues = f'{cwd}/input/residues_CALVADOS3.csv', # residue definitions + fresidues = residues_file, # residue definitions fdomains = f'{cwd}/input/domains.yaml', # domain definitions (harmonic restraints) pdb_folder = f'{cwd}/input', # directory for pdb and PAE files diff --git a/examples/slab_mixed/example_slab_analysis.ipynb b/examples/slab_mixed/example_slab_analysis.ipynb new file mode 100644 index 0000000..5ad488a --- /dev/null +++ b/examples/slab_mixed/example_slab_analysis.ipynb @@ -0,0 +1,130 @@ +{ + "cells": [ + { + "cell_type": "code", + "execution_count": null, + "id": "5e8512a4-c01d-4420-b0dd-56f9dbcf75be", + "metadata": {}, + "outputs": [], + "source": [ + "import calvados as cal\n", + "import numpy as np\n", + "import matplotlib.pyplot as plt\n", + "import pandas as pd\n", + "\n", + "import warnings\n", + "warnings.filterwarnings(\"ignore\", category=DeprecationWarning) " + ] + }, + { + "cell_type": "code", + "execution_count": null, + "id": "685745be-dcce-48a4-a257-09b4bb307cb0", + "metadata": {}, + "outputs": [], + "source": [ + "name = 'mixed_system'\n", + "\n", + "ref_chains = (0, 199) # 0-based inclusive\n", + "ref_name = 'FUSR-GG3'\n", + "\n", + "client_chain_list = [(200,259)]\n", + "client_names = ['polyU40']\n", + "\n", + "slab = cal.analysis.SlabAnalysis(\n", + " name = name,\n", + " input_path = 'mixed_system',\n", + " output_path = 'data',\n", + " ref_name = ref_name, ref_chains = ref_chains,\n", + " client_chain_list = client_chain_list, client_names = client_names,\n", + " verbose = True)" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "id": "d5fb9e70-e3b9-44f2-845d-6216e42a1660", + "metadata": {}, + "outputs": [], + "source": [ + "slab.center(start=250, step=1, center_target='all') # center_target='ref' for centering only on FUS-RGG3" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "id": "b80b4df5-6936-4928-b222-fcfe07454148", + "metadata": {}, + "outputs": [], + "source": [ + "slab.calc_profiles()" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "id": "0763cce5-bc92-40c3-95a9-cb0a1489e66e", + "metadata": {}, + "outputs": [], + "source": [ + "slab.calc_concentrations()" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "id": "a7153594-a030-4d7a-98f6-50e70e6e1c22", + "metadata": {}, + "outputs": [], + "source": [ + "slab.df_results" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "id": "38ad0684-cf09-4ce9-bc14-fdc903e8f978", + "metadata": {}, + "outputs": [], + "source": [ + "slab.plot_density_profiles()" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "id": "8c7b6fb2-3f2c-4480-80e3-9aaf56077420", + "metadata": {}, + "outputs": [], + "source": [ + "# Individual 2D density profile of ref\n", + "\n", + "test = np.load(f'data/{name}_{slab.ref_name}_profile.npy')\n", + "print(test.shape)\n", + "fig, ax = plt.subplots()\n", + "ax.imshow(test,cmap=plt.cm.Blues)" + ] + } + ], + "metadata": { + "kernelspec": { + "display_name": "Python 3 (ipykernel)", + "language": "python", + "name": "python3" + }, + "language_info": { + "codemirror_mode": { + "name": "ipython", + "version": 3 + }, + "file_extension": ".py", + "mimetype": "text/x-python", + "name": "python", + "nbconvert_exporter": "python", + "pygments_lexer": "ipython3", + "version": "3.10.15" + } + }, + "nbformat": 4, + "nbformat_minor": 5 +} diff --git a/examples/slab_mixed/input/mix.fasta b/examples/slab_mixed/input/mix.fasta new file mode 100644 index 0000000..92a1a11 --- /dev/null +++ b/examples/slab_mixed/input/mix.fasta @@ -0,0 +1,4 @@ +>FUS-RGG3 +RRGGRGGYDRGGYRGRGGDRGGFRGGRGGGDRGC +>polyU40 +rrrrrrrrrrrrrrrrrrrrrrrrrrrrrrrrrrrrrrrr diff --git a/examples/slab_mixed/residues_C2RNA.csv b/examples/slab_mixed/input/residues_C2RNA.csv similarity index 85% rename from examples/slab_mixed/residues_C2RNA.csv rename to examples/slab_mixed/input/residues_C2RNA.csv index 13c0e2b..7667373 100644 --- a/examples/slab_mixed/residues_C2RNA.csv +++ b/examples/slab_mixed/input/residues_C2RNA.csv @@ -19,9 +19,4 @@ LEU,L,113.16,0.6440005007782226,0.618,0,0.38 ILE,I,113.16,0.5423623610671892,0.618,0,0.38 PRO,P,97.12,0.3593126576364644,0.5559999999999999,0,0.38 PHE,F,147.18,0.8672358982062975,0.636,0,0.38 -LPH,B,100.0,0.4625416811611541,0.855,0,0.38 -LPT,Z,200.0,0.9774611449343455,0.9,0,0.38 -ADE,a,134.1,1.18,0.6430,0,0.54 -URI,u,111.1,1.18,0.5958,0,0.54 -RBC,p,194.1,0.00,0.6954,-1,0.59 RNA,r,126.3,1.18,0.6238,0,0.54 diff --git a/examples/slab_mixed/mix.fasta b/examples/slab_mixed/mix.fasta deleted file mode 100644 index 27590bd..0000000 --- a/examples/slab_mixed/mix.fasta +++ /dev/null @@ -1,8 +0,0 @@ ->FUSRGG3 -RRGGRGGYDRGGYRGRGGDRGGFRGGRGGGDRGC ->polyU30 -uuuuuuuuuuuuuuuuuuuuuuuuuuuuuu ->polyR30 -rrrrrrrrrrrrrrrrrrrrrrrrrrrrrr ->PEG -BBBBBBBBBBBBBBBBBBBBBBBBBBBBB diff --git a/examples/slab_mixed/prepare.py b/examples/slab_mixed/prepare.py index e6b446f..d5fbaf7 100644 --- a/examples/slab_mixed/prepare.py +++ b/examples/slab_mixed/prepare.py @@ -9,14 +9,16 @@ sysname = 'mixed_system' # set the side length of the slab box -Lx = 20 -Lz = 150 +Lx = 15 +Lz = 80 # set the saving interval (number of integration steps) -N_save = 100 +N_save = 100000 # set final number of frames to save -N_frames = 100000 +N_frames = 1000 + +residues_file = f'{cwd}/input/residues_C2RNA.csv' config = Config( # GENERAL @@ -24,17 +26,19 @@ box = [Lx, Lx, Lz], # nm temp = 293.15, # 20 degrees Celsius ionic = 0.15, # molar - pH = 7.5, # 7.5 + pH = 7.5, topol = 'slab', # RUNTIME SETTINGS wfreq = N_save, # dcd writing interval, 1 = 10 fs steps = N_frames*N_save, # number of simulation steps runtime = 0, # overwrites 'steps' keyword if > 0 - platform = 'CPU', + platform = 'CUDA', restart = 'checkpoint', frestart = 'restart.chk', verbose = True, + slab_eq = True, + steps_eq = 100*N_save, # JOB SETTINGS (ignore if running locally) submit = False @@ -43,16 +47,38 @@ # PATH path = f'{cwd}/{sysname}' subprocess.run(f'mkdir -p {path}',shell=True) +subprocess.run(f'mkdir -p {cwd}/data',shell=True) + +analyses = f""" +from calvados.analysis import SlabAnalysis +slab_analysis = SlabAnalysis( + name='mixed_system', + input_path=f'{cwd}/mixed_system', + output_path=f'{cwd}/data', + input_pdb='top.pdb', input_dcd=None, + centered_dcd='traj.dcd', + # use proteins as reference for centering + ref_chains=(0, 199), # 0-based indexing, inclusive + ref_name='FUS-RGG3', + client_chain_list=[(200, 259)], + client_names=['polyU40'], + verbose=False + ) +slab_analysis.center( + start=250, + center_target='all' + ) +slab_analysis.calc_profiles() +slab_analysis.calc_concentrations() +""" -config.write(path,name='config.yaml') +config.write(path,name='config.yaml',analyses=analyses) components = Components( # Defaults - restraint = False, # apply restraints - charge_termini = 'both', # charge N or C or both - fresidues = f'{cwd}/residues_C2RNA.csv', # residue definitions - ffasta = f'{cwd}/mix.fasta', - + fresidues = residues_file, # residue definitions + ffasta = f'{cwd}/input/mix.fasta', + # RNA settings rna_kb1 = 1400.0, rna_kb2 = 2200.0, @@ -63,7 +89,7 @@ rna_nb_cutoff = 2.0 ) -components.add(name='polyR30', molecule_type='rna', nmol=25) -components.add(name='FUSRGG3', molecule_type='protein', nmol=100) +components.add(name='FUS-RGG3', molecule_type='protein', nmol=200, charge_termini='both') +components.add(name='polyU40', molecule_type='rna', nmol=60) components.write(path,name='components.yaml') diff --git a/examples/ten_IDR_cyl/README.md b/examples/ten_IDR_cyl/README.md new file mode 100644 index 0000000..af73062 --- /dev/null +++ b/examples/ten_IDR_cyl/README.md @@ -0,0 +1,8 @@ +The lines below run simulations of a single IDR: + +```bash +python prepare.py --name +python /run.py --path +``` + +where `` (FUSRGG3) is a protein with sequence provided in the fasta file in the `input` folder. diff --git a/examples/ten_IDR_cyl/input/idr.fasta b/examples/ten_IDR_cyl/input/idr.fasta new file mode 100644 index 0000000..9f5ec4f --- /dev/null +++ b/examples/ten_IDR_cyl/input/idr.fasta @@ -0,0 +1,2 @@ +>FUSRGG3 +RRGGRGGYDRGGYRGRGGDRGGFRGGRGGGDRGC diff --git a/examples/ten_IDR_cyl/input/residues_CALVADOS2.csv b/examples/ten_IDR_cyl/input/residues_CALVADOS2.csv new file mode 100644 index 0000000..de99dcd --- /dev/null +++ b/examples/ten_IDR_cyl/input/residues_CALVADOS2.csv @@ -0,0 +1,21 @@ +one,three,MW,lambdas,sigmas,q,bondlength +R,ARG,156.19,0.730762476752,0.656,1,0.38 +D,ASP,115.09,0.041604048061,0.558,-1,0.38 +N,ASN,114.1,0.425585900979,0.568,0,0.38 +E,GLU,129.11,0.000693546096,0.592,-1,0.38 +K,LYS,128.17,0.179021173899,0.636,1,0.38 +H,HIS,137.14,0.466366729056,0.608,0,0.38 +Q,GLN,128.13,0.393431855106,0.602,0,0.38 +S,SER,87.08,0.462541681161,0.518,0,0.38 +C,CYS,103.14,0.561543509914,0.548,0,0.38 +G,GLY,57.05,0.705884373367,0.45,0,0.38 +T,THR,101.11,0.371316297627,0.562,0,0.38 +A,ALA,71.07,0.274329796904,0.504,0,0.38 +M,MET,131.2,0.530848113434,0.618,0,0.38 +Y,TYR,163.18,0.977461144934,0.646,0,0.38 +V,VAL,99.13,0.208376960817,0.586,0,0.38 +W,TRP,186.22,0.989376474037,0.678,0,0.38 +L,LEU,113.16,0.644000500778,0.618,0,0.38 +I,ILE,113.16,0.542362361067,0.618,0,0.38 +P,PRO,97.12,0.359312657636,0.556,0,0.38 +F,PHE,147.18,0.867235898206,0.636,0,0.38 diff --git a/examples/ten_IDR_cyl/prepare.py b/examples/ten_IDR_cyl/prepare.py new file mode 100644 index 0000000..34f1e65 --- /dev/null +++ b/examples/ten_IDR_cyl/prepare.py @@ -0,0 +1,69 @@ +import os +import pandas as pd +from calvados.cfg import Config, Job, Components +import subprocess +import numpy as np +from argparse import ArgumentParser + +parser = ArgumentParser() +parser.add_argument('--name',nargs='?',required=True,type=str) +args = parser.parse_args() + +cwd = os.getcwd() +sysname = f'{args.name:s}' + +# set the side length of the cubic box +L = 20 + +# set the saving interval (number of integration steps) +N_save = 1000 + +# set final number of frames to save +N_frames = 1000 + +residues_file = f'{cwd}/input/residues_CALVADOS2.csv' + +config = Config( + # GENERAL + sysname = sysname, # name of simulation system + box = [L, L, L], # nm + temp = 293, # K + ionic = 0.15, # molar + pH = 7.0, # 7.5 + topol = 'grid', + ext_force = True, + ext_force_expr = f'step(d-3)*0.5*(d-3)^2; d=periodicdistance(x, y, z, {L/2:g}, {L/2:g}, z)', + + # RUNTIME SETTINGS + wfreq = N_save, # dcd writing interval, 1 = 10 fs + steps = N_frames*N_save, # number of simulation steps + runtime = 0, # overwrites 'steps' keyword if > 0 + platform = 'CPU', # or CUDA + restart = 'checkpoint', + frestart = 'restart.chk', + verbose = True, +) + +# PATH +path = f'{cwd}/{sysname:s}' +subprocess.run(f'mkdir -p {path}',shell=True) + +config.write(path,name='config.yaml') + +components = Components( + # Defaults + molecule_type = 'protein', + nmol = 1, # number of molecules + restraint = False, # apply restraints + ext_restraint = False, # apply external restraints + charge_termini = 'both', # charge N or C or both + + # INPUT + fresidues = residues_file, # residue definitions + ffasta = f'{cwd}/input/idr.fasta', # residue definitions +) + +components.add(name=args.name, nmol=10, ext_restraint=True) + +components.write(path,name='components.yaml') + diff --git a/examples/two_IDR/README.md b/examples/two_IDR/README.md new file mode 100644 index 0000000..3d0e062 --- /dev/null +++ b/examples/two_IDR/README.md @@ -0,0 +1,18 @@ +The lines below run simulations of two different IDRs: + +```bash +python prepare.py --name_1 --name_2 +python _/run.py --path _ +``` + +where `` (aSyn) and `` (Tau35) are proteins with sequences provided in the fasta file in the `input` folder. + +After running the simulation, the script analyses the trajectory and saves the following files in the `data` folder: + +```bash +aSyn_Tau35_com_traj.dcd # trajectory of the center of mass of aSyn and Tau35 +aSyn_Tau35_com_top.pdb # pdb file of the center of mass of aSyn and Tau35 +aSyn_Tau35_aSyn_Tau35_cmap.npy # aSyn-Tau35 contact map +aSyn_Tau35_aSyn_rg.npy # per-frame Rg's of aSyn +aSyn_Tau35_Tau35_rg.npy # per-frame Rg's of Tau35 +``` diff --git a/examples/two_IDR/input/idr.fasta b/examples/two_IDR/input/idr.fasta new file mode 100644 index 0000000..86d5bbd --- /dev/null +++ b/examples/two_IDR/input/idr.fasta @@ -0,0 +1,4 @@ +>aSyn +MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA +>Tau35 +EPPKSGDRSGYSSPGSPGTPGSRSRTPSLPTPPTREPKKVAVVRTPPKSPSSAKSRLQTAPVPMPDLKNVKSKIGSTENLKHQPGGGKVQIINKKLDLSNVQSKCGSKDNIKHVPGGGSVQIVYKPVDLSKVTSKCGSLGNIHHKPGGGQVEVKSEKLDFKDRVQSKIGSLDNITHVPGGGNKKIETHKLTFRENAKAKTDHGAEIVYKSPVVSGDTSPRHLSNVSSTGSIDMVDSPQLATLADEVSASLAKQGL diff --git a/examples/two_IDR/input/residues_CALVADOS2.csv b/examples/two_IDR/input/residues_CALVADOS2.csv new file mode 100644 index 0000000..de99dcd --- /dev/null +++ b/examples/two_IDR/input/residues_CALVADOS2.csv @@ -0,0 +1,21 @@ +one,three,MW,lambdas,sigmas,q,bondlength +R,ARG,156.19,0.730762476752,0.656,1,0.38 +D,ASP,115.09,0.041604048061,0.558,-1,0.38 +N,ASN,114.1,0.425585900979,0.568,0,0.38 +E,GLU,129.11,0.000693546096,0.592,-1,0.38 +K,LYS,128.17,0.179021173899,0.636,1,0.38 +H,HIS,137.14,0.466366729056,0.608,0,0.38 +Q,GLN,128.13,0.393431855106,0.602,0,0.38 +S,SER,87.08,0.462541681161,0.518,0,0.38 +C,CYS,103.14,0.561543509914,0.548,0,0.38 +G,GLY,57.05,0.705884373367,0.45,0,0.38 +T,THR,101.11,0.371316297627,0.562,0,0.38 +A,ALA,71.07,0.274329796904,0.504,0,0.38 +M,MET,131.2,0.530848113434,0.618,0,0.38 +Y,TYR,163.18,0.977461144934,0.646,0,0.38 +V,VAL,99.13,0.208376960817,0.586,0,0.38 +W,TRP,186.22,0.989376474037,0.678,0,0.38 +L,LEU,113.16,0.644000500778,0.618,0,0.38 +I,ILE,113.16,0.542362361067,0.618,0,0.38 +P,PRO,97.12,0.359312657636,0.556,0,0.38 +F,PHE,147.18,0.867235898206,0.636,0,0.38 diff --git a/examples/two_IDR/prepare.py b/examples/two_IDR/prepare.py new file mode 100644 index 0000000..0aa59d5 --- /dev/null +++ b/examples/two_IDR/prepare.py @@ -0,0 +1,77 @@ +import os +import pandas as pd +from calvados.cfg import Config, Job, Components +import subprocess +import numpy as np +from argparse import ArgumentParser + +parser = ArgumentParser() +parser.add_argument('--name_1',nargs='?',required=True,type=str) +parser.add_argument('--name_2',nargs='?',required=True,type=str) +args = parser.parse_args() + +cwd = os.getcwd() +sysname = f'{args.name_1:s}_{args.name_2:s}' + +# set the side length of the cubic box +L = 20 + +# set the saving interval (number of integration steps) +N_save = 1000 + +# set final number of frames to save +N_frames = 1000 + +residues_file = f'{cwd}/input/residues_CALVADOS2.csv' + +config = Config( + # GENERAL + sysname = sysname, # name of simulation system + box = [L, L, L], # nm + temp = 293, # K + ionic = 0.15, # molar + pH = 7.0, # 7.5 + topol = 'random', + + # RUNTIME SETTINGS + wfreq = N_save, # dcd writing interval, 1 = 10 fs + steps = N_frames*N_save, # number of simulation steps + runtime = 0, # overwrites 'steps' keyword if > 0 + platform = 'CPU', # or CUDA + restart = 'checkpoint', + frestart = 'restart.chk', + verbose = True, +) + +# PATH +path = f'{cwd}/{sysname:s}' +subprocess.run(f'mkdir -p {path}',shell=True) +subprocess.run(f'mkdir -p data',shell=True) + +analyses = f""" +from calvados.analysis import calc_com_traj, calc_contact_map + +chainid_dict = dict({args.name_1:s} = 0, {args.name_2:s} = 1) +calc_com_traj(path="{path:s}",sysname="{sysname:s}",output_path="data",residues_file="{residues_file:s}",chainid_dict=chainid_dict,start=10) +calc_contact_map(path="{path:s}",sysname="{sysname:s}",output_path="data",chainid_dict=chainid_dict) +""" + +config.write(path,name='config.yaml',analyses=analyses) + +components = Components( + # Defaults + molecule_type = 'protein', + nmol = 1, # number of molecules + restraint = False, # apply restraints + charge_termini = 'both', # charge N or C or both + + # INPUT + fresidues = residues_file, # residue definitions + ffasta = f'{cwd}/input/idr.fasta', # residue definitions +) + +components.add(name=args.name_1) +components.add(name=args.name_2) + +components.write(path,name='components.yaml') + diff --git a/examples/two_IDR_MDP/README.md b/examples/two_IDR_MDP/README.md new file mode 100644 index 0000000..8ed2d39 --- /dev/null +++ b/examples/two_IDR_MDP/README.md @@ -0,0 +1,29 @@ +The lines below run simulations of an IDR with an MDP: + +```bash +python prepare.py --name_1 --name_2 +python _/run.py --path _ +``` + +where `` (Tau35) is an IDR and `` (TIA1) is an MDP with sequence and structure provided in the `input` folder. + +After running the simulation, the script analyses the trajectory and saves the following files in the `data` folder: + +```bash +Tau35_TIA1_com_traj.dcd # trajectory of the centers of mass +Tau35_TIA1_com_top.pdb # pdb file of the centers of mass +Tau35_TIA1_Tau35_TIA1_cmap.npy # Tau35-TIA1 contact map +Tau35_TIA1_Tau35_rg.npy # per-frame Rg's of Tau35 +Tau35_TIA1_TIA1_rg.npy # per-frame Rg's of TIA1 +``` + +Trajectory of the centers of mass can be used to calculate the radial distribution function and the second virial coefficient + +```python +import mdtraj as md +import numpy as np + +t = md.load('data/com_traj.dcd',top='data/com_top.pdb') +r,rdf = md.compute_rdf(t,pairs=[[0,1]],r_range=(.5,15),bin_width=.1) +b22 = -2*np.pi*np.trapz((rdf-1)*r*r,r) +``` diff --git a/examples/two_IDR_MDP/input/TIA1.pdb b/examples/two_IDR_MDP/input/TIA1.pdb new file mode 100644 index 0000000..ead00cb --- /dev/null +++ b/examples/two_IDR_MDP/input/TIA1.pdb @@ -0,0 +1,4225 @@ +TITLE Guyana Rwanda Oman Macau Angola Cameroon Senegal +MODEL 1 +ATOM 1 N GLY 1 -13.276 -0.454 28.196 1.00 0.00 N +ATOM 2 H1 GLY 1 -12.853 -0.594 29.091 1.00 0.00 +ATOM 3 H2 GLY 1 -12.895 -1.107 27.541 1.00 0.00 +ATOM 4 H3 GLY 1 -13.093 0.478 27.882 1.00 0.00 +ATOM 5 CA GLY 1 -14.736 -0.660 28.304 1.00 0.00 C +ATOM 6 HA1 GLY 1 -14.914 -1.592 28.620 1.00 0.00 +ATOM 7 HA2 GLY 1 -15.112 -0.007 28.961 1.00 0.00 +ATOM 8 C GLY 1 -15.377 -0.454 26.974 1.00 0.00 C +ATOM 9 O GLY 1 -16.110 0.512 26.769 1.00 0.00 O +ATOM 10 N GLU 2 -15.103 -1.372 26.029 1.00 0.00 N +ATOM 11 HN GLU 2 -14.481 -2.124 26.245 1.00 0.00 +ATOM 12 CA GLU 2 -15.681 -1.297 24.721 1.00 0.00 C +ATOM 13 HA GLU 2 -15.613 -0.327 24.489 1.00 0.00 +ATOM 14 CB GLU 2 -14.951 -2.148 23.667 1.00 0.00 C +ATOM 15 HB1 GLU 2 -14.663 -3.004 24.096 1.00 0.00 +ATOM 16 HB2 GLU 2 -15.589 -2.346 22.923 1.00 0.00 +ATOM 17 CG GLU 2 -13.715 -1.475 23.069 1.00 0.00 C +ATOM 18 HG1 GLU 2 -13.185 -2.140 22.543 1.00 0.00 +ATOM 19 HG2 GLU 2 -13.991 -0.721 22.473 1.00 0.00 +ATOM 20 CD GLU 2 -12.873 -0.940 24.211 1.00 0.00 C +ATOM 21 OE1 GLU 2 -13.127 0.224 24.627 1.00 0.00 O +ATOM 22 OE2 GLU 2 -11.973 -1.681 24.684 1.00 0.00 O +ATOM 23 C GLU 2 -17.088 -1.785 24.805 1.00 0.00 C +ATOM 24 O GLU 2 -17.480 -2.449 25.762 1.00 0.00 O +ATOM 25 N ASP 3 -17.882 -1.438 23.777 1.00 0.00 N +ATOM 26 HN ASP 3 -17.476 -0.897 23.040 1.00 0.00 +ATOM 27 CA ASP 3 -19.269 -1.787 23.659 1.00 0.00 C +ATOM 28 HA ASP 3 -19.699 -1.421 24.484 1.00 0.00 +ATOM 29 CB ASP 3 -19.896 -1.192 22.382 1.00 0.00 C +ATOM 30 HB1 ASP 3 -20.837 -1.516 22.283 1.00 0.00 +ATOM 31 HB2 ASP 3 -19.891 -0.193 22.434 1.00 0.00 +ATOM 32 CG ASP 3 -19.073 -1.643 21.178 1.00 0.00 C +ATOM 33 OD1 ASP 3 -17.879 -1.246 21.102 1.00 0.00 O +ATOM 34 OD2 ASP 3 -19.627 -2.374 20.312 1.00 0.00 O +ATOM 35 C ASP 3 -19.390 -3.275 23.592 1.00 0.00 C +ATOM 36 O ASP 3 -20.355 -3.861 24.081 1.00 0.00 O +ATOM 37 N GLU 4 -18.375 -3.910 22.990 1.00 0.00 N +ATOM 38 HN GLU 4 -17.597 -3.349 22.708 1.00 0.00 +ATOM 39 CA GLU 4 -18.294 -5.311 22.710 1.00 0.00 C +ATOM 40 HA GLU 4 -19.127 -5.467 22.179 1.00 0.00 +ATOM 41 CB GLU 4 -16.996 -5.647 21.961 1.00 0.00 C +ATOM 42 HB1 GLU 4 -17.007 -5.176 21.079 1.00 0.00 +ATOM 43 HB2 GLU 4 -16.222 -5.321 22.504 1.00 0.00 +ATOM 44 CG GLU 4 -16.803 -7.138 21.703 1.00 0.00 C +ATOM 45 HG1 GLU 4 -15.888 -7.307 21.337 1.00 0.00 +ATOM 46 HG2 GLU 4 -16.922 -7.651 22.553 1.00 0.00 +ATOM 47 CD GLU 4 -17.849 -7.569 20.691 1.00 0.00 C +ATOM 48 OE1 GLU 4 -19.060 -7.382 20.979 1.00 0.00 O +ATOM 49 OE2 GLU 4 -17.450 -8.087 19.613 1.00 0.00 O +ATOM 50 C GLU 4 -18.310 -6.151 23.944 1.00 0.00 C +ATOM 51 O GLU 4 -18.817 -7.270 23.901 1.00 0.00 O +ATOM 52 N MET 5 -17.721 -5.677 25.058 1.00 0.00 N +ATOM 53 HN MET 5 -17.341 -4.752 25.079 1.00 0.00 +ATOM 54 CA MET 5 -17.648 -6.525 26.216 1.00 0.00 C +ATOM 55 HA MET 5 -17.885 -7.423 25.846 1.00 0.00 +ATOM 56 CB MET 5 -16.255 -6.502 26.861 1.00 0.00 C +ATOM 57 HB1 MET 5 -16.324 -6.871 27.788 1.00 0.00 +ATOM 58 HB2 MET 5 -15.640 -7.075 26.319 1.00 0.00 +ATOM 59 CG MET 5 -15.668 -5.090 26.938 1.00 0.00 C +ATOM 60 HG1 MET 5 -15.418 -4.882 25.993 1.00 0.00 +ATOM 61 HG2 MET 5 -16.444 -4.521 27.210 1.00 0.00 +ATOM 62 SD MET 5 -14.260 -4.891 28.066 1.00 0.00 S +ATOM 63 CE MET 5 -15.306 -4.153 29.352 1.00 0.00 C +ATOM 64 HE1 MET 5 -14.746 -3.929 30.149 1.00 0.00 +ATOM 65 HE2 MET 5 -15.731 -3.320 28.998 1.00 0.00 +ATOM 66 HE3 MET 5 -16.017 -4.804 29.617 1.00 0.00 +ATOM 67 C MET 5 -18.622 -6.086 27.269 1.00 0.00 C +ATOM 68 O MET 5 -18.390 -5.114 27.985 1.00 0.00 O +ATOM 69 N PRO 6 -19.711 -6.802 27.395 1.00 0.00 N +ATOM 70 CD PRO 6 -20.320 -7.483 26.270 1.00 0.00 C +ATOM 71 HD1 PRO 6 -19.749 -8.258 26.000 1.00 0.00 +ATOM 72 HD2 PRO 6 -20.406 -6.849 25.502 1.00 0.00 +ATOM 73 CA PRO 6 -20.685 -6.444 28.389 1.00 0.00 C +ATOM 74 HA PRO 6 -20.618 -5.455 28.520 1.00 0.00 +ATOM 75 CB PRO 6 -22.038 -6.890 27.845 1.00 0.00 C +ATOM 76 HB1 PRO 6 -22.596 -7.289 28.573 1.00 0.00 +ATOM 77 HB2 PRO 6 -22.525 -6.118 27.437 1.00 0.00 +ATOM 78 CG PRO 6 -21.693 -7.942 26.782 1.00 0.00 C +ATOM 79 HG1 PRO 6 -21.639 -8.855 27.185 1.00 0.00 +ATOM 80 HG2 PRO 6 -22.369 -7.943 26.045 1.00 0.00 +ATOM 81 C PRO 6 -20.398 -7.006 29.746 1.00 0.00 C +ATOM 82 O PRO 6 -19.923 -8.134 29.855 1.00 0.00 O +ATOM 83 N LYS 7 -20.663 -6.197 30.785 1.00 0.00 N +ATOM 84 HN LYS 7 -20.954 -5.267 30.559 1.00 0.00 +ATOM 85 CA LYS 7 -20.576 -6.514 32.183 1.00 0.00 C +ATOM 86 HA LYS 7 -19.744 -7.066 32.241 1.00 0.00 +ATOM 87 CB LYS 7 -20.531 -5.256 33.046 1.00 0.00 C +ATOM 88 HB1 LYS 7 -21.345 -4.712 32.843 1.00 0.00 +ATOM 89 HB2 LYS 7 -20.549 -5.538 34.005 1.00 0.00 +ATOM 90 CG LYS 7 -19.309 -4.368 32.839 1.00 0.00 C +ATOM 91 HG1 LYS 7 -18.526 -4.774 33.309 1.00 0.00 +ATOM 92 HG2 LYS 7 -19.113 -4.303 31.860 1.00 0.00 +ATOM 93 CD LYS 7 -19.559 -2.966 33.396 1.00 0.00 C +ATOM 94 HD1 LYS 7 -20.027 -2.429 32.694 1.00 0.00 +ATOM 95 HD2 LYS 7 -20.148 -3.049 34.200 1.00 0.00 +ATOM 96 CE LYS 7 -18.298 -2.213 33.808 1.00 0.00 C +ATOM 97 HE1 LYS 7 -17.887 -2.646 34.610 1.00 0.00 +ATOM 98 HE2 LYS 7 -17.639 -2.211 33.056 1.00 0.00 +ATOM 99 NZ LYS 7 -18.642 -0.813 34.145 1.00 0.00 N +ATOM 100 HZ1 LYS 7 -17.814 -0.322 34.415 1.00 0.00 +ATOM 101 HZ2 LYS 7 -19.048 -0.368 33.347 1.00 0.00 +ATOM 102 HZ3 LYS 7 -19.296 -0.803 34.901 1.00 0.00 +ATOM 103 C LYS 7 -21.803 -7.248 32.630 1.00 0.00 C +ATOM 104 O LYS 7 -21.798 -7.907 33.670 1.00 0.00 O +ATOM 105 N THR 8 -22.913 -7.067 31.886 1.00 0.00 N +ATOM 106 HN THR 8 -22.832 -6.598 31.006 1.00 0.00 +ATOM 107 CA THR 8 -24.206 -7.523 32.311 1.00 0.00 C +ATOM 108 HA THR 8 -24.168 -7.503 33.310 1.00 0.00 +ATOM 109 CB THR 8 -25.295 -6.634 31.776 1.00 0.00 C +ATOM 110 HB THR 8 -25.284 -6.633 30.776 1.00 0.00 +ATOM 111 OG1 THR 8 -25.046 -5.290 32.152 1.00 0.00 O +ATOM 112 HG1 THR 8 -25.773 -4.704 31.794 1.00 0.00 +ATOM 113 CG2 THR 8 -26.649 -7.090 32.345 1.00 0.00 C +ATOM 114 HG21 THR 8 -27.375 -6.500 31.991 1.00 0.00 +ATOM 115 HG22 THR 8 -26.824 -8.036 32.071 1.00 0.00 +ATOM 116 HG23 THR 8 -26.628 -7.030 33.343 1.00 0.00 +ATOM 117 C THR 8 -24.466 -8.897 31.787 1.00 0.00 C +ATOM 118 O THR 8 -24.287 -9.173 30.602 1.00 0.00 O +ATOM 119 N LEU 9 -24.903 -9.812 32.675 1.00 0.00 N +ATOM 120 HN LEU 9 -25.017 -9.569 33.638 1.00 0.00 +ATOM 121 CA LEU 9 -25.202 -11.136 32.222 1.00 0.00 C +ATOM 122 HA LEU 9 -24.848 -11.152 31.287 1.00 0.00 +ATOM 123 CB LEU 9 -24.497 -12.237 33.020 1.00 0.00 C +ATOM 124 HB1 LEU 9 -24.571 -12.029 33.995 1.00 0.00 +ATOM 125 HB2 LEU 9 -24.943 -13.112 32.831 1.00 0.00 +ATOM 126 CG LEU 9 -23.009 -12.333 32.634 1.00 0.00 C +ATOM 127 HG LEU 9 -22.965 -12.611 31.675 1.00 0.00 +ATOM 128 CD1 LEU 9 -22.300 -10.980 32.746 1.00 0.00 C +ATOM 129 HD11 LEU 9 -21.340 -11.085 32.488 1.00 0.00 +ATOM 130 HD12 LEU 9 -22.740 -10.322 32.135 1.00 0.00 +ATOM 131 HD13 LEU 9 -22.358 -10.650 33.688 1.00 0.00 +ATOM 132 CD2 LEU 9 -22.291 -13.397 33.463 1.00 0.00 C +ATOM 133 HD21 LEU 9 -21.329 -13.438 33.192 1.00 0.00 +ATOM 134 HD22 LEU 9 -22.355 -13.163 34.433 1.00 0.00 +ATOM 135 HD23 LEU 9 -22.719 -14.287 33.306 1.00 0.00 +ATOM 136 C LEU 9 -26.682 -11.338 32.229 1.00 0.00 C +ATOM 137 O LEU 9 -27.385 -10.975 33.172 1.00 0.00 O +ATOM 138 N TYR 10 -27.182 -11.935 31.133 1.00 0.00 N +ATOM 139 HN TYR 10 -26.555 -12.251 30.421 1.00 0.00 +ATOM 140 CA TYR 10 -28.585 -12.129 30.960 1.00 0.00 C +ATOM 141 HA TYR 10 -29.036 -11.511 31.604 1.00 0.00 +ATOM 142 CB TYR 10 -29.012 -11.837 29.509 1.00 0.00 C +ATOM 143 HB1 TYR 10 -28.844 -10.874 29.297 1.00 0.00 +ATOM 144 HB2 TYR 10 -28.488 -12.413 28.882 1.00 0.00 +ATOM 145 CG TYR 10 -30.462 -12.116 29.298 1.00 0.00 C +ATOM 146 CD1 TYR 10 -31.432 -11.238 29.727 1.00 0.00 C +ATOM 147 HD1 TYR 10 -31.165 -10.398 30.200 1.00 0.00 +ATOM 148 CE1 TYR 10 -32.764 -11.504 29.511 1.00 0.00 C +ATOM 149 HE1 TYR 10 -33.460 -10.860 29.830 1.00 0.00 +ATOM 150 CZ TYR 10 -33.141 -12.653 28.858 1.00 0.00 C +ATOM 151 OH TYR 10 -34.507 -12.932 28.634 1.00 0.00 O +ATOM 152 HH TYR 10 -34.594 -13.802 28.149 1.00 0.00 +ATOM 153 CD2 TYR 10 -30.849 -13.257 28.637 1.00 0.00 C +ATOM 154 HD2 TYR 10 -30.154 -13.898 28.310 1.00 0.00 +ATOM 155 CE2 TYR 10 -32.178 -13.529 28.419 1.00 0.00 C +ATOM 156 HE2 TYR 10 -32.445 -14.366 27.940 1.00 0.00 +ATOM 157 C TYR 10 -28.870 -13.562 31.252 1.00 0.00 C +ATOM 158 O TYR 10 -28.666 -14.434 30.410 1.00 0.00 O +ATOM 159 N VAL 11 -29.355 -13.839 32.476 1.00 0.00 N +ATOM 160 HN VAL 11 -29.493 -13.108 33.145 1.00 0.00 +ATOM 161 CA VAL 11 -29.670 -15.195 32.806 1.00 0.00 C +ATOM 162 HA VAL 11 -29.179 -15.726 32.116 1.00 0.00 +ATOM 163 CB VAL 11 -29.210 -15.621 34.164 1.00 0.00 C +ATOM 164 HB VAL 11 -29.592 -16.513 34.404 1.00 0.00 +ATOM 165 CG1 VAL 11 -27.685 -15.754 34.149 1.00 0.00 C +ATOM 166 HG11 VAL 11 -27.366 -16.039 35.053 1.00 0.00 +ATOM 167 HG12 VAL 11 -27.417 -16.438 33.470 1.00 0.00 +ATOM 168 HG13 VAL 11 -27.276 -14.872 33.914 1.00 0.00 +ATOM 169 CG2 VAL 11 -29.704 -14.580 35.178 1.00 0.00 C +ATOM 170 HG21 VAL 11 -29.408 -14.843 36.096 1.00 0.00 +ATOM 171 HG22 VAL 11 -29.323 -13.684 34.949 1.00 0.00 +ATOM 172 HG23 VAL 11 -30.703 -14.535 35.149 1.00 0.00 +ATOM 173 C VAL 11 -31.149 -15.364 32.767 1.00 0.00 C +ATOM 174 O VAL 11 -31.891 -14.703 33.494 1.00 0.00 O +ATOM 175 N GLY 12 -31.612 -16.261 31.877 1.00 0.00 N +ATOM 176 HN GLY 12 -30.971 -16.746 31.282 1.00 0.00 +ATOM 177 CA GLY 12 -33.013 -16.527 31.775 1.00 0.00 C +ATOM 178 HA1 GLY 12 -33.514 -15.803 32.249 1.00 0.00 +ATOM 179 HA2 GLY 12 -33.271 -16.533 30.809 1.00 0.00 +ATOM 180 C GLY 12 -33.289 -17.856 32.402 1.00 0.00 C +ATOM 181 O GLY 12 -32.429 -18.440 33.063 1.00 0.00 O +ATOM 182 N ASN 13 -34.506 -18.377 32.132 1.00 0.00 N +ATOM 183 HN ASN 13 -35.119 -17.839 31.553 1.00 0.00 +ATOM 184 CA ASN 13 -34.989 -19.643 32.611 1.00 0.00 C +ATOM 185 HA ASN 13 -35.906 -19.685 32.215 1.00 0.00 +ATOM 186 CB ASN 13 -34.136 -20.832 32.148 1.00 0.00 C +ATOM 187 HB1 ASN 13 -33.167 -20.650 32.315 1.00 0.00 +ATOM 188 HB2 ASN 13 -34.407 -21.663 32.633 1.00 0.00 +ATOM 189 CG ASN 13 -34.380 -21.001 30.659 1.00 0.00 C +ATOM 190 OD1 ASN 13 -34.617 -20.031 29.942 1.00 0.00 O +ATOM 191 ND2 ASN 13 -34.337 -22.274 30.183 1.00 0.00 N +ATOM 192 HD21 ASN 13 -34.152 -23.035 30.805 1.00 0.00 +ATOM 193 HD22 ASN 13 -34.490 -22.450 29.210 1.00 0.00 +ATOM 194 C ASN 13 -35.048 -19.661 34.105 1.00 0.00 C +ATOM 195 O ASN 13 -34.783 -20.689 34.727 1.00 0.00 O +ATOM 196 N LEU 14 -35.426 -18.527 34.724 1.00 0.00 N +ATOM 197 HN LEU 14 -35.658 -17.718 34.184 1.00 0.00 +ATOM 198 CA LEU 14 -35.497 -18.477 36.159 1.00 0.00 C +ATOM 199 HA LEU 14 -34.759 -19.099 36.420 1.00 0.00 +ATOM 200 CB LEU 14 -35.250 -17.083 36.769 1.00 0.00 C +ATOM 201 HB1 LEU 14 -35.953 -16.459 36.428 1.00 0.00 +ATOM 202 HB2 LEU 14 -35.322 -17.155 37.764 1.00 0.00 +ATOM 203 CG LEU 14 -33.868 -16.497 36.422 1.00 0.00 C +ATOM 204 HG LEU 14 -33.929 -16.073 35.518 1.00 0.00 +ATOM 205 CD1 LEU 14 -33.482 -15.377 37.398 1.00 0.00 C +ATOM 206 HD11 LEU 14 -32.583 -15.015 37.151 1.00 0.00 +ATOM 207 HD12 LEU 14 -34.161 -14.645 37.350 1.00 0.00 +ATOM 208 HD13 LEU 14 -33.450 -15.742 38.328 1.00 0.00 +ATOM 209 CD2 LEU 14 -32.792 -17.583 36.276 1.00 0.00 C +ATOM 210 HD21 LEU 14 -31.916 -17.156 36.052 1.00 0.00 +ATOM 211 HD22 LEU 14 -32.707 -18.086 37.136 1.00 0.00 +ATOM 212 HD23 LEU 14 -33.052 -18.214 35.545 1.00 0.00 +ATOM 213 C LEU 14 -36.835 -18.962 36.623 1.00 0.00 C +ATOM 214 O LEU 14 -37.738 -19.219 35.830 1.00 0.00 O +ATOM 215 N SER 15 -36.963 -19.152 37.953 1.00 0.00 N +ATOM 216 HN SER 15 -36.180 -18.970 38.548 1.00 0.00 +ATOM 217 CA SER 15 -38.192 -19.608 38.537 1.00 0.00 C +ATOM 218 HA SER 15 -38.873 -19.453 37.821 1.00 0.00 +ATOM 219 CB SER 15 -38.163 -21.092 38.942 1.00 0.00 C +ATOM 220 HB1 SER 15 -38.058 -21.680 38.140 1.00 0.00 +ATOM 221 HB2 SER 15 -37.421 -21.272 39.587 1.00 0.00 +ATOM 222 OG SER 15 -39.383 -21.444 39.578 1.00 0.00 O +ATOM 223 HG1 SER 15 -39.357 -22.409 39.838 1.00 0.00 +ATOM 224 C SER 15 -38.438 -18.810 39.781 1.00 0.00 C +ATOM 225 O SER 15 -37.515 -18.293 40.406 1.00 0.00 O +ATOM 226 N ARG 16 -39.719 -18.725 40.183 1.00 0.00 N +ATOM 227 HN ARG 16 -40.409 -19.215 39.650 1.00 0.00 +ATOM 228 CA ARG 16 -40.161 -17.978 41.326 1.00 0.00 C +ATOM 229 HA ARG 16 -39.907 -17.029 41.137 1.00 0.00 +ATOM 230 CB ARG 16 -41.666 -18.146 41.553 1.00 0.00 C +ATOM 231 HB1 ARG 16 -41.941 -17.604 42.347 1.00 0.00 +ATOM 232 HB2 ARG 16 -42.158 -17.825 40.744 1.00 0.00 +ATOM 233 CG ARG 16 -42.020 -19.610 41.803 1.00 0.00 C +ATOM 234 HG1 ARG 16 -41.533 -20.169 41.132 1.00 0.00 +ATOM 235 HG2 ARG 16 -41.716 -19.853 42.724 1.00 0.00 +ATOM 236 CD ARG 16 -43.507 -19.925 41.695 1.00 0.00 C +ATOM 237 HD1 ARG 16 -43.679 -20.886 41.909 1.00 0.00 +ATOM 238 HD2 ARG 16 -44.035 -19.345 42.315 1.00 0.00 +ATOM 239 NE ARG 16 -43.902 -19.645 40.286 1.00 0.00 N +ATOM 240 HE ARG 16 -44.453 -18.839 40.069 1.00 0.00 +ATOM 241 CZ ARG 16 -43.507 -20.495 39.293 1.00 0.00 C +ATOM 242 NH1 ARG 16 -42.693 -21.548 39.593 1.00 0.00 N +ATOM 243 HH11 ARG 16 -42.390 -21.693 40.535 1.00 0.00 +ATOM 244 HH12 ARG 16 -42.400 -22.175 38.871 1.00 0.00 +ATOM 245 NH2 ARG 16 -43.896 -20.277 38.002 1.00 0.00 N +ATOM 246 HH21 ARG 16 -44.473 -19.491 37.780 1.00 0.00 +ATOM 247 HH22 ARG 16 -43.603 -20.903 37.279 1.00 0.00 +ATOM 248 C ARG 16 -39.495 -18.547 42.537 1.00 0.00 C +ATOM 249 O ARG 16 -39.193 -17.830 43.488 1.00 0.00 O +ATOM 250 N ASP 17 -39.288 -19.873 42.534 1.00 0.00 N +ATOM 251 HN ASP 17 -39.559 -20.388 41.721 1.00 0.00 +ATOM 252 CA ASP 17 -38.702 -20.598 43.625 1.00 0.00 C +ATOM 253 HA ASP 17 -39.314 -20.378 44.385 1.00 0.00 +ATOM 254 CB ASP 17 -38.580 -22.102 43.351 1.00 0.00 C +ATOM 255 HB1 ASP 17 -37.991 -22.253 42.557 1.00 0.00 +ATOM 256 HB2 ASP 17 -38.187 -22.559 44.149 1.00 0.00 +ATOM 257 CG ASP 17 -39.948 -22.685 43.071 1.00 0.00 C +ATOM 258 OD1 ASP 17 -40.923 -21.896 42.966 1.00 0.00 O +ATOM 259 OD2 ASP 17 -40.024 -23.934 42.936 1.00 0.00 O +ATOM 260 C ASP 17 -37.282 -20.162 43.803 1.00 0.00 C +ATOM 261 O ASP 17 -36.761 -20.192 44.915 1.00 0.00 O +ATOM 262 N VAL 18 -36.598 -19.788 42.703 1.00 0.00 N +ATOM 263 HN VAL 18 -37.060 -19.725 41.818 1.00 0.00 +ATOM 264 CA VAL 18 -35.198 -19.481 42.814 1.00 0.00 C +ATOM 265 HA VAL 18 -34.826 -20.219 43.377 1.00 0.00 +ATOM 266 CB VAL 18 -34.487 -19.445 41.490 1.00 0.00 C +ATOM 267 HB VAL 18 -34.882 -18.745 40.895 1.00 0.00 +ATOM 268 CG1 VAL 18 -33.013 -19.065 41.723 1.00 0.00 C +ATOM 269 HG11 VAL 18 -32.533 -19.039 40.846 1.00 0.00 +ATOM 270 HG12 VAL 18 -32.965 -18.165 42.156 1.00 0.00 +ATOM 271 HG13 VAL 18 -32.584 -19.744 42.318 1.00 0.00 +ATOM 272 CG2 VAL 18 -34.679 -20.800 40.792 1.00 0.00 C +ATOM 273 HG21 VAL 18 -34.210 -20.789 39.909 1.00 0.00 +ATOM 274 HG22 VAL 18 -34.297 -21.526 41.363 1.00 0.00 +ATOM 275 HG23 VAL 18 -35.655 -20.966 40.650 1.00 0.00 +ATOM 276 C VAL 18 -35.057 -18.121 43.419 1.00 0.00 C +ATOM 277 O VAL 18 -35.330 -17.113 42.772 1.00 0.00 O +ATOM 278 N THR 19 -34.578 -18.064 44.681 1.00 0.00 N +ATOM 279 HN THR 19 -34.293 -18.906 45.139 1.00 0.00 +ATOM 280 CA THR 19 -34.473 -16.812 45.371 1.00 0.00 C +ATOM 281 HA THR 19 -35.329 -16.353 45.134 1.00 0.00 +ATOM 282 CB THR 19 -34.392 -16.933 46.872 1.00 0.00 C +ATOM 283 HB THR 19 -35.212 -17.383 47.226 1.00 0.00 +ATOM 284 OG1 THR 19 -34.409 -15.648 47.472 1.00 0.00 O +ATOM 285 HG1 THR 19 -34.355 -15.743 48.466 1.00 0.00 +ATOM 286 CG2 THR 19 -33.112 -17.690 47.263 1.00 0.00 C +ATOM 287 HG21 THR 19 -33.062 -17.768 48.259 1.00 0.00 +ATOM 288 HG22 THR 19 -33.128 -18.604 46.857 1.00 0.00 +ATOM 289 HG23 THR 19 -32.313 -17.190 46.927 1.00 0.00 +ATOM 290 C THR 19 -33.275 -16.068 44.885 1.00 0.00 C +ATOM 291 O THR 19 -32.273 -16.657 44.479 1.00 0.00 O +ATOM 292 N GLU 20 -33.378 -14.724 44.932 1.00 0.00 N +ATOM 293 HN GLU 20 -34.215 -14.331 45.313 1.00 0.00 +ATOM 294 CA GLU 20 -32.366 -13.825 44.471 1.00 0.00 C +ATOM 295 HA GLU 20 -32.229 -14.105 43.521 1.00 0.00 +ATOM 296 CB GLU 20 -32.775 -12.341 44.552 1.00 0.00 C +ATOM 297 HB1 GLU 20 -33.605 -12.205 44.011 1.00 0.00 +ATOM 298 HB2 GLU 20 -32.958 -12.109 45.507 1.00 0.00 +ATOM 299 CG GLU 20 -31.687 -11.401 44.021 1.00 0.00 C +ATOM 300 HG1 GLU 20 -30.898 -11.422 44.634 1.00 0.00 +ATOM 301 HG2 GLU 20 -31.407 -11.695 43.107 1.00 0.00 +ATOM 302 CD GLU 20 -32.233 -9.980 43.949 1.00 0.00 C +ATOM 303 OE1 GLU 20 -32.518 -9.391 45.025 1.00 0.00 O +ATOM 304 OE2 GLU 20 -32.367 -9.462 42.808 1.00 0.00 O +ATOM 305 C GLU 20 -31.145 -14.002 45.313 1.00 0.00 C +ATOM 306 O GLU 20 -30.030 -13.853 44.818 1.00 0.00 O +ATOM 307 N ALA 21 -31.323 -14.325 46.607 1.00 0.00 N +ATOM 308 HN ALA 21 -32.250 -14.481 46.949 1.00 0.00 +ATOM 309 CA ALA 21 -30.213 -14.450 47.508 1.00 0.00 C +ATOM 310 HA ALA 21 -29.792 -13.543 47.484 1.00 0.00 +ATOM 311 CB ALA 21 -30.649 -14.838 48.932 1.00 0.00 C +ATOM 312 HB1 ALA 21 -29.843 -14.912 49.519 1.00 0.00 +ATOM 313 HB2 ALA 21 -31.262 -14.137 49.295 1.00 0.00 +ATOM 314 HB3 ALA 21 -31.125 -15.717 48.907 1.00 0.00 +ATOM 315 C ALA 21 -29.288 -15.523 47.021 1.00 0.00 C +ATOM 316 O ALA 21 -28.068 -15.363 47.054 1.00 0.00 O +ATOM 317 N LEU 22 -29.857 -16.651 46.559 1.00 0.00 N +ATOM 318 HN LEU 22 -30.855 -16.703 46.527 1.00 0.00 +ATOM 319 CA LEU 22 -29.098 -17.785 46.110 1.00 0.00 C +ATOM 320 HA LEU 22 -28.499 -17.999 46.881 1.00 0.00 +ATOM 321 CB LEU 22 -30.026 -18.958 45.728 1.00 0.00 C +ATOM 322 HB1 LEU 22 -30.565 -19.207 46.533 1.00 0.00 +ATOM 323 HB2 LEU 22 -30.638 -18.650 44.999 1.00 0.00 +ATOM 324 CG LEU 22 -29.286 -20.216 45.236 1.00 0.00 C +ATOM 325 HG LEU 22 -28.683 -19.946 44.486 1.00 0.00 +ATOM 326 CD1 LEU 22 -28.399 -20.796 46.349 1.00 0.00 C +ATOM 327 HD11 LEU 22 -27.928 -21.610 46.010 1.00 0.00 +ATOM 328 HD12 LEU 22 -27.724 -20.113 46.627 1.00 0.00 +ATOM 329 HD13 LEU 22 -28.967 -21.042 47.134 1.00 0.00 +ATOM 330 CD2 LEU 22 -30.253 -21.261 44.651 1.00 0.00 C +ATOM 331 HD21 LEU 22 -29.735 -22.059 44.344 1.00 0.00 +ATOM 332 HD22 LEU 22 -30.908 -21.539 45.353 1.00 0.00 +ATOM 333 HD23 LEU 22 -30.744 -20.864 43.875 1.00 0.00 +ATOM 334 C LEU 22 -28.305 -17.427 44.892 1.00 0.00 C +ATOM 335 O LEU 22 -27.104 -17.686 44.818 1.00 0.00 O +ATOM 336 N ILE 23 -28.962 -16.792 43.904 1.00 0.00 N +ATOM 337 HN ILE 23 -29.920 -16.536 44.037 1.00 0.00 +ATOM 338 CA ILE 23 -28.316 -16.476 42.668 1.00 0.00 C +ATOM 339 HA ILE 23 -27.945 -17.354 42.366 1.00 0.00 +ATOM 340 CB ILE 23 -29.261 -15.980 41.618 1.00 0.00 C +ATOM 341 HB ILE 23 -29.825 -15.235 41.974 1.00 0.00 +ATOM 342 CG2 ILE 23 -28.441 -15.417 40.446 1.00 0.00 C +ATOM 343 HG21 ILE 23 -29.061 -15.082 39.736 1.00 0.00 +ATOM 344 HG22 ILE 23 -27.868 -14.665 40.771 1.00 0.00 +ATOM 345 HG23 ILE 23 -27.861 -16.139 40.068 1.00 0.00 +ATOM 346 CG1 ILE 23 -30.206 -17.131 41.222 1.00 0.00 C +ATOM 347 HG11 ILE 23 -29.662 -17.860 40.807 1.00 0.00 +ATOM 348 HG12 ILE 23 -30.650 -17.476 42.049 1.00 0.00 +ATOM 349 CD ILE 23 -31.295 -16.735 40.233 1.00 0.00 C +ATOM 350 HD1 ILE 23 -31.864 -17.531 40.027 1.00 0.00 +ATOM 351 HD2 ILE 23 -31.862 -16.015 40.632 1.00 0.00 +ATOM 352 HD3 ILE 23 -30.874 -16.399 39.391 1.00 0.00 +ATOM 353 C ILE 23 -27.222 -15.479 42.887 1.00 0.00 C +ATOM 354 O ILE 23 -26.146 -15.585 42.302 1.00 0.00 O +ATOM 355 N LEU 24 -27.470 -14.487 43.754 1.00 0.00 N +ATOM 356 HN LEU 24 -28.336 -14.493 44.254 1.00 0.00 +ATOM 357 CA LEU 24 -26.548 -13.420 43.993 1.00 0.00 C +ATOM 358 HA LEU 24 -26.379 -12.987 43.108 1.00 0.00 +ATOM 359 CB LEU 24 -27.141 -12.419 45.001 1.00 0.00 C +ATOM 360 HB1 LEU 24 -28.112 -12.301 44.794 1.00 0.00 +ATOM 361 HB2 LEU 24 -27.040 -12.800 45.920 1.00 0.00 +ATOM 362 CG LEU 24 -26.475 -11.037 44.978 1.00 0.00 C +ATOM 363 HG LEU 24 -26.866 -10.481 45.712 1.00 0.00 +ATOM 364 CD1 LEU 24 -24.977 -11.108 45.295 1.00 0.00 C +ATOM 365 HD11 LEU 24 -24.587 -10.188 45.269 1.00 0.00 +ATOM 366 HD12 LEU 24 -24.847 -11.499 46.206 1.00 0.00 +ATOM 367 HD13 LEU 24 -24.520 -11.683 44.617 1.00 0.00 +ATOM 368 CD2 LEU 24 -26.779 -10.335 43.647 1.00 0.00 C +ATOM 369 HD21 LEU 24 -26.343 -9.435 43.637 1.00 0.00 +ATOM 370 HD22 LEU 24 -26.424 -10.885 42.891 1.00 0.00 +ATOM 371 HD23 LEU 24 -27.768 -10.227 43.545 1.00 0.00 +ATOM 372 C LEU 24 -25.289 -14.011 44.566 1.00 0.00 C +ATOM 373 O LEU 24 -24.180 -13.635 44.187 1.00 0.00 O +ATOM 374 N GLN 25 -25.431 -14.984 45.486 1.00 0.00 N +ATOM 375 HN GLN 25 -26.349 -15.298 45.726 1.00 0.00 +ATOM 376 CA GLN 25 -24.295 -15.581 46.130 1.00 0.00 C +ATOM 377 HA GLN 25 -23.835 -14.779 46.512 1.00 0.00 +ATOM 378 CB GLN 25 -24.656 -16.591 47.228 1.00 0.00 C +ATOM 379 HB1 GLN 25 -25.142 -16.117 47.963 1.00 0.00 +ATOM 380 HB2 GLN 25 -25.246 -17.299 46.841 1.00 0.00 +ATOM 381 CG GLN 25 -23.403 -17.249 47.805 1.00 0.00 C +ATOM 382 HG1 GLN 25 -22.974 -17.824 47.109 1.00 0.00 +ATOM 383 HG2 GLN 25 -22.758 -16.544 48.099 1.00 0.00 +ATOM 384 CD GLN 25 -23.789 -18.105 48.996 1.00 0.00 C +ATOM 385 OE1 GLN 25 -24.740 -18.885 48.948 1.00 0.00 O +ATOM 386 NE2 GLN 25 -23.021 -17.950 50.107 1.00 0.00 N +ATOM 387 HE21 GLN 25 -22.258 -17.303 50.101 1.00 0.00 +ATOM 388 HE22 GLN 25 -23.219 -18.483 50.930 1.00 0.00 +ATOM 389 C GLN 25 -23.451 -16.306 45.134 1.00 0.00 C +ATOM 390 O GLN 25 -22.224 -16.288 45.223 1.00 0.00 O +ATOM 391 N LEU 26 -24.085 -16.967 44.150 1.00 0.00 N +ATOM 392 HN LEU 26 -25.082 -16.916 44.086 1.00 0.00 +ATOM 393 CA LEU 26 -23.358 -17.742 43.193 1.00 0.00 C +ATOM 394 HA LEU 26 -22.902 -18.432 43.755 1.00 0.00 +ATOM 395 CB LEU 26 -24.260 -18.365 42.117 1.00 0.00 C +ATOM 396 HB1 LEU 26 -24.816 -17.636 41.716 1.00 0.00 +ATOM 397 HB2 LEU 26 -23.674 -18.764 41.412 1.00 0.00 +ATOM 398 CG LEU 26 -25.206 -19.461 42.627 1.00 0.00 C +ATOM 399 HG LEU 26 -25.843 -19.057 43.283 1.00 0.00 +ATOM 400 CD1 LEU 26 -26.047 -20.025 41.470 1.00 0.00 C +ATOM 401 HD11 LEU 26 -26.657 -20.737 41.818 1.00 0.00 +ATOM 402 HD12 LEU 26 -26.590 -19.290 41.063 1.00 0.00 +ATOM 403 HD13 LEU 26 -25.441 -20.415 40.777 1.00 0.00 +ATOM 404 CD2 LEU 26 -24.434 -20.549 43.391 1.00 0.00 C +ATOM 405 HD21 LEU 26 -25.073 -21.248 43.711 1.00 0.00 +ATOM 406 HD22 LEU 26 -23.759 -20.967 42.784 1.00 0.00 +ATOM 407 HD23 LEU 26 -23.968 -20.139 44.175 1.00 0.00 +ATOM 408 C LEU 26 -22.426 -16.839 42.452 1.00 0.00 C +ATOM 409 O LEU 26 -21.268 -17.180 42.218 1.00 0.00 O +ATOM 410 N PHE 27 -22.922 -15.660 42.039 1.00 0.00 N +ATOM 411 HN PHE 27 -23.865 -15.419 42.270 1.00 0.00 +ATOM 412 CA PHE 27 -22.132 -14.742 41.276 1.00 0.00 C +ATOM 413 HA PHE 27 -21.764 -15.337 40.561 1.00 0.00 +ATOM 414 CB PHE 27 -22.934 -13.580 40.673 1.00 0.00 C +ATOM 415 HB1 PHE 27 -23.522 -13.162 41.365 1.00 0.00 +ATOM 416 HB2 PHE 27 -22.320 -12.887 40.295 1.00 0.00 +ATOM 417 CG PHE 27 -23.776 -14.142 39.582 1.00 0.00 C +ATOM 418 CD1 PHE 27 -23.195 -14.556 38.406 1.00 0.00 C +ATOM 419 HD1 PHE 27 -22.204 -14.482 38.291 1.00 0.00 +ATOM 420 CE1 PHE 27 -23.961 -15.071 37.386 1.00 0.00 C +ATOM 421 HE1 PHE 27 -23.526 -15.377 36.539 1.00 0.00 +ATOM 422 CZ PHE 27 -25.323 -15.165 37.531 1.00 0.00 C +ATOM 423 HZ PHE 27 -25.883 -15.537 36.791 1.00 0.00 +ATOM 424 CD2 PHE 27 -25.140 -14.232 39.717 1.00 0.00 C +ATOM 425 HD2 PHE 27 -25.576 -13.922 40.562 1.00 0.00 +ATOM 426 CE2 PHE 27 -25.911 -14.745 38.699 1.00 0.00 C +ATOM 427 HE2 PHE 27 -26.903 -14.812 38.810 1.00 0.00 +ATOM 428 C PHE 27 -21.057 -14.150 42.120 1.00 0.00 C +ATOM 429 O PHE 27 -19.942 -13.928 41.652 1.00 0.00 O +ATOM 430 N SER 28 -21.378 -13.863 43.392 1.00 0.00 N +ATOM 431 HN SER 28 -22.290 -14.100 43.726 1.00 0.00 +ATOM 432 CA SER 28 -20.457 -13.229 44.285 1.00 0.00 C +ATOM 433 HA SER 28 -20.213 -12.377 43.822 1.00 0.00 +ATOM 434 CB SER 28 -21.067 -12.955 45.668 1.00 0.00 C +ATOM 435 HB1 SER 28 -21.408 -13.800 46.081 1.00 0.00 +ATOM 436 HB2 SER 28 -20.395 -12.534 46.277 1.00 0.00 +ATOM 437 OG SER 28 -22.163 -12.059 45.552 1.00 0.00 O +ATOM 438 HG1 SER 28 -22.551 -11.888 46.458 1.00 0.00 +ATOM 439 C SER 28 -19.287 -14.130 44.481 1.00 0.00 C +ATOM 440 O SER 28 -18.201 -13.675 44.834 1.00 0.00 O +ATOM 441 N GLN 29 -19.468 -15.447 44.300 1.00 0.00 N +ATOM 442 HN GLN 29 -20.356 -15.839 44.059 1.00 0.00 +ATOM 443 CA GLN 29 -18.301 -16.245 44.477 1.00 0.00 C +ATOM 444 HA GLN 29 -17.978 -15.961 45.380 1.00 0.00 +ATOM 445 CB GLN 29 -18.544 -17.766 44.496 1.00 0.00 C +ATOM 446 HB1 GLN 29 -17.693 -18.213 44.771 1.00 0.00 +ATOM 447 HB2 GLN 29 -19.255 -17.958 45.172 1.00 0.00 +ATOM 448 CG GLN 29 -18.985 -18.385 43.172 1.00 0.00 C +ATOM 449 HG1 GLN 29 -19.877 -18.021 42.903 1.00 0.00 +ATOM 450 HG2 GLN 29 -18.314 -18.184 42.458 1.00 0.00 +ATOM 451 CD GLN 29 -19.079 -19.891 43.392 1.00 0.00 C +ATOM 452 OE1 GLN 29 -18.782 -20.402 44.471 1.00 0.00 O +ATOM 453 NE2 GLN 29 -19.506 -20.633 42.335 1.00 0.00 N +ATOM 454 HE21 GLN 29 -19.739 -20.186 41.472 1.00 0.00 +ATOM 455 HE22 GLN 29 -19.587 -21.626 42.421 1.00 0.00 +ATOM 456 C GLN 29 -17.344 -15.921 43.367 1.00 0.00 C +ATOM 457 O GLN 29 -16.137 -15.872 43.586 1.00 0.00 O +ATOM 458 N ILE 30 -17.858 -15.736 42.133 1.00 0.00 N +ATOM 459 HN ILE 30 -18.849 -15.768 42.006 1.00 0.00 +ATOM 460 CA ILE 30 -17.008 -15.493 40.994 1.00 0.00 C +ATOM 461 HA ILE 30 -16.277 -16.151 41.175 1.00 0.00 +ATOM 462 CB ILE 30 -17.705 -15.786 39.700 1.00 0.00 C +ATOM 463 HB ILE 30 -18.531 -15.228 39.617 1.00 0.00 +ATOM 464 CG2 ILE 30 -16.751 -15.430 38.548 1.00 0.00 C +ATOM 465 HG21 ILE 30 -17.199 -15.619 37.674 1.00 0.00 +ATOM 466 HG22 ILE 30 -16.515 -14.460 38.599 1.00 0.00 +ATOM 467 HG23 ILE 30 -15.919 -15.980 38.622 1.00 0.00 +ATOM 468 CG1 ILE 30 -18.129 -17.264 39.682 1.00 0.00 C +ATOM 469 HG11 ILE 30 -18.752 -17.425 40.448 1.00 0.00 +ATOM 470 HG12 ILE 30 -18.604 -17.448 38.821 1.00 0.00 +ATOM 471 CD ILE 30 -16.957 -18.240 39.802 1.00 0.00 C +ATOM 472 HD1 ILE 30 -17.302 -19.179 39.784 1.00 0.00 +ATOM 473 HD2 ILE 30 -16.328 -18.101 39.037 1.00 0.00 +ATOM 474 HD3 ILE 30 -16.476 -18.078 40.663 1.00 0.00 +ATOM 475 C ILE 30 -16.402 -14.111 40.916 1.00 0.00 C +ATOM 476 O ILE 30 -15.187 -13.976 40.776 1.00 0.00 O +ATOM 477 N GLY 31 -17.210 -13.039 41.042 1.00 0.00 N +ATOM 478 HN GLY 31 -18.172 -13.161 41.285 1.00 0.00 +ATOM 479 CA GLY 31 -16.680 -11.714 40.825 1.00 0.00 C +ATOM 480 HA1 GLY 31 -15.683 -11.759 40.755 1.00 0.00 +ATOM 481 HA2 GLY 31 -17.057 -11.337 39.979 1.00 0.00 +ATOM 482 C GLY 31 -17.082 -10.888 41.985 1.00 0.00 C +ATOM 483 O GLY 31 -16.866 -11.322 43.097 1.00 0.00 O +ATOM 484 N PRO 32 -17.699 -9.761 41.720 1.00 0.00 N +ATOM 485 CD PRO 32 -18.983 -10.415 41.526 1.00 0.00 C +ATOM 486 HD1 PRO 32 -18.842 -11.275 41.035 1.00 0.00 +ATOM 487 HD2 PRO 32 -19.577 -9.817 40.988 1.00 0.00 +ATOM 488 CA PRO 32 -18.163 -8.870 42.751 1.00 0.00 C +ATOM 489 HA PRO 32 -17.449 -8.367 43.237 1.00 0.00 +ATOM 490 CB PRO 32 -18.818 -9.506 43.882 1.00 0.00 C +ATOM 491 HB1 PRO 32 -18.154 -9.850 44.546 1.00 0.00 +ATOM 492 HB2 PRO 32 -19.453 -8.883 44.338 1.00 0.00 +ATOM 493 CG PRO 32 -19.524 -10.640 43.017 1.00 0.00 C +ATOM 494 HG1 PRO 32 -19.269 -11.547 43.353 1.00 0.00 +ATOM 495 HG2 PRO 32 -20.518 -10.539 43.052 1.00 0.00 +ATOM 496 C PRO 32 -19.136 -8.163 41.859 1.00 0.00 C +ATOM 497 O PRO 32 -18.794 -7.703 40.769 1.00 0.00 O +ATOM 498 N CYS 33 -20.334 -7.989 42.422 1.00 0.00 N +ATOM 499 HN CYS 33 -20.425 -8.058 43.415 1.00 0.00 +ATOM 500 CA CYS 33 -21.472 -7.709 41.639 1.00 0.00 C +ATOM 501 HA CYS 33 -21.204 -7.859 40.687 1.00 0.00 +ATOM 502 CB CYS 33 -22.642 -8.611 42.055 1.00 0.00 C +ATOM 503 HB1 CYS 33 -22.268 -9.538 42.031 1.00 0.00 +ATOM 504 HB2 CYS 33 -22.836 -8.354 43.002 1.00 0.00 +ATOM 505 SG CYS 33 -24.099 -8.443 40.997 1.00 0.00 S +ATOM 506 HG1 CYS 33 -24.820 -9.055 41.322 1.00 0.00 +ATOM 507 C CYS 33 -21.842 -6.301 41.870 1.00 0.00 C +ATOM 508 O CYS 33 -21.976 -5.857 43.009 1.00 0.00 O +ATOM 509 N LYS 34 -21.898 -5.544 40.765 1.00 0.00 N +ATOM 510 HN LYS 34 -21.642 -5.925 39.877 1.00 0.00 +ATOM 511 CA LYS 34 -22.326 -4.190 40.872 1.00 0.00 C +ATOM 512 HA LYS 34 -21.858 -3.893 41.704 1.00 0.00 +ATOM 513 CB LYS 34 -21.873 -3.291 39.699 1.00 0.00 C +ATOM 514 HB1 LYS 34 -22.119 -2.348 39.921 1.00 0.00 +ATOM 515 HB2 LYS 34 -20.879 -3.366 39.619 1.00 0.00 +ATOM 516 CG LYS 34 -22.465 -3.605 38.327 1.00 0.00 C +ATOM 517 HG1 LYS 34 -21.924 -3.131 37.632 1.00 0.00 +ATOM 518 HG2 LYS 34 -22.410 -4.592 38.176 1.00 0.00 +ATOM 519 CD LYS 34 -23.923 -3.173 38.185 1.00 0.00 C +ATOM 520 HD1 LYS 34 -24.254 -3.489 37.296 1.00 0.00 +ATOM 521 HD2 LYS 34 -24.449 -3.614 38.912 1.00 0.00 +ATOM 522 CE LYS 34 -24.161 -1.665 38.273 1.00 0.00 C +ATOM 523 HE1 LYS 34 -23.854 -1.318 39.159 1.00 0.00 +ATOM 524 HE2 LYS 34 -23.668 -1.194 37.542 1.00 0.00 +ATOM 525 NZ LYS 34 -25.609 -1.393 38.127 1.00 0.00 N +ATOM 526 HZ1 LYS 34 -25.770 -0.408 38.184 1.00 0.00 +ATOM 527 HZ2 LYS 34 -25.924 -1.732 37.240 1.00 0.00 +ATOM 528 HZ3 LYS 34 -26.110 -1.856 38.858 1.00 0.00 +ATOM 529 C LYS 34 -23.813 -4.119 41.074 1.00 0.00 C +ATOM 530 O LYS 34 -24.270 -3.374 41.940 1.00 0.00 O +ATOM 531 N ASN 35 -24.623 -4.893 40.307 1.00 0.00 N +ATOM 532 HN ASN 35 -24.248 -5.522 39.626 1.00 0.00 +ATOM 533 CA ASN 35 -26.048 -4.773 40.513 1.00 0.00 C +ATOM 534 HA ASN 35 -26.079 -4.585 41.495 1.00 0.00 +ATOM 535 CB ASN 35 -26.761 -3.649 39.722 1.00 0.00 C +ATOM 536 HB1 ASN 35 -27.648 -3.461 40.143 1.00 0.00 +ATOM 537 HB2 ASN 35 -26.199 -2.822 39.745 1.00 0.00 +ATOM 538 CG ASN 35 -26.986 -4.047 38.266 1.00 0.00 C +ATOM 539 OD1 ASN 35 -26.254 -4.849 37.696 1.00 0.00 O +ATOM 540 ND2 ASN 35 -28.044 -3.464 37.639 1.00 0.00 N +ATOM 541 HD21 ASN 35 -28.622 -2.815 38.133 1.00 0.00 +ATOM 542 HD22 ASN 35 -28.243 -3.685 36.684 1.00 0.00 +ATOM 543 C ASN 35 -26.715 -6.047 40.100 1.00 0.00 C +ATOM 544 O ASN 35 -26.146 -6.858 39.370 1.00 0.00 O +ATOM 545 N CYS 36 -27.959 -6.255 40.563 1.00 0.00 N +ATOM 546 HN CYS 36 -28.381 -5.599 41.188 1.00 0.00 +ATOM 547 CA CYS 36 -28.674 -7.425 40.153 1.00 0.00 C +ATOM 548 HA CYS 36 -28.326 -7.602 39.232 1.00 0.00 +ATOM 549 CB CYS 36 -28.433 -8.642 41.068 1.00 0.00 C +ATOM 550 HB1 CYS 36 -28.903 -9.402 40.619 1.00 0.00 +ATOM 551 HB2 CYS 36 -27.445 -8.797 41.040 1.00 0.00 +ATOM 552 SG CYS 36 -29.035 -8.370 42.761 1.00 0.00 S +ATOM 553 HG1 CYS 36 -28.856 -9.184 43.313 1.00 0.00 +ATOM 554 C CYS 36 -30.139 -7.120 40.173 1.00 0.00 C +ATOM 555 O CYS 36 -30.654 -6.559 41.139 1.00 0.00 O +ATOM 556 N LYS 37 -30.861 -7.465 39.087 1.00 0.00 N +ATOM 557 HN LYS 37 -30.419 -7.864 38.284 1.00 0.00 +ATOM 558 CA LYS 37 -32.276 -7.246 39.112 1.00 0.00 C +ATOM 559 HA LYS 37 -32.464 -7.089 40.081 1.00 0.00 +ATOM 560 CB LYS 37 -32.746 -6.031 38.295 1.00 0.00 C +ATOM 561 HB1 LYS 37 -32.258 -6.023 37.422 1.00 0.00 +ATOM 562 HB2 LYS 37 -33.728 -6.118 38.127 1.00 0.00 +ATOM 563 CG LYS 37 -32.491 -4.699 39.006 1.00 0.00 C +ATOM 564 HG1 LYS 37 -31.511 -4.623 39.189 1.00 0.00 +ATOM 565 HG2 LYS 37 -32.775 -3.958 38.397 1.00 0.00 +ATOM 566 CD LYS 37 -33.245 -4.551 40.334 1.00 0.00 C +ATOM 567 HD1 LYS 37 -33.223 -5.431 40.809 1.00 0.00 +ATOM 568 HD2 LYS 37 -32.777 -3.862 40.887 1.00 0.00 +ATOM 569 CE LYS 37 -34.710 -4.126 40.172 1.00 0.00 C +ATOM 570 HE1 LYS 37 -34.771 -3.338 39.559 1.00 0.00 +ATOM 571 HE2 LYS 37 -35.245 -4.883 39.797 1.00 0.00 +ATOM 572 NZ LYS 37 -35.285 -3.747 41.485 1.00 0.00 N +ATOM 573 HZ1 LYS 37 -36.239 -3.473 41.364 1.00 0.00 +ATOM 574 HZ2 LYS 37 -35.239 -4.529 42.107 1.00 0.00 +ATOM 575 HZ3 LYS 37 -34.765 -2.984 41.869 1.00 0.00 +ATOM 576 C LYS 37 -32.954 -8.465 38.579 1.00 0.00 C +ATOM 577 O LYS 37 -32.762 -8.859 37.430 1.00 0.00 O +ATOM 578 N MET 38 -33.782 -9.092 39.430 1.00 0.00 N +ATOM 579 HN MET 38 -33.886 -8.737 40.359 1.00 0.00 +ATOM 580 CA MET 38 -34.520 -10.255 39.043 1.00 0.00 C +ATOM 581 HA MET 38 -33.974 -10.740 38.360 1.00 0.00 +ATOM 582 CB MET 38 -34.805 -11.173 40.245 1.00 0.00 C +ATOM 583 HB1 MET 38 -33.930 -11.451 40.641 1.00 0.00 +ATOM 584 HB2 MET 38 -35.326 -10.651 40.921 1.00 0.00 +ATOM 585 CG MET 38 -35.595 -12.439 39.920 1.00 0.00 C +ATOM 586 HG1 MET 38 -36.494 -12.103 39.640 1.00 0.00 +ATOM 587 HG2 MET 38 -35.123 -12.827 39.128 1.00 0.00 +ATOM 588 SD MET 38 -35.706 -13.623 41.297 1.00 0.00 S +ATOM 589 CE MET 38 -36.721 -12.564 42.367 1.00 0.00 C +ATOM 590 HE1 MET 38 -36.912 -13.042 43.224 1.00 0.00 +ATOM 591 HE2 MET 38 -36.228 -11.716 42.561 1.00 0.00 +ATOM 592 HE3 MET 38 -37.582 -12.351 41.905 1.00 0.00 +ATOM 593 C MET 38 -35.823 -9.744 38.518 1.00 0.00 C +ATOM 594 O MET 38 -36.599 -9.127 39.245 1.00 0.00 O +ATOM 595 N ILE 39 -36.117 -10.020 37.233 1.00 0.00 N +ATOM 596 HN ILE 39 -35.526 -10.614 36.687 1.00 0.00 +ATOM 597 CA ILE 39 -37.297 -9.440 36.670 1.00 0.00 C +ATOM 598 HA ILE 39 -37.358 -8.542 37.105 1.00 0.00 +ATOM 599 CB ILE 39 -37.228 -9.260 35.180 1.00 0.00 C +ATOM 600 HB ILE 39 -37.024 -10.135 34.741 1.00 0.00 +ATOM 601 CG2 ILE 39 -38.602 -8.762 34.707 1.00 0.00 C +ATOM 602 HG21 ILE 39 -38.586 -8.633 33.716 1.00 0.00 +ATOM 603 HG22 ILE 39 -39.301 -9.437 34.944 1.00 0.00 +ATOM 604 HG23 ILE 39 -38.813 -7.892 35.153 1.00 0.00 +ATOM 605 CG1 ILE 39 -36.082 -8.304 34.802 1.00 0.00 C +ATOM 606 HG11 ILE 39 -36.152 -8.091 33.827 1.00 0.00 +ATOM 607 HG12 ILE 39 -36.179 -7.463 35.335 1.00 0.00 +ATOM 608 CD ILE 39 -34.693 -8.878 35.066 1.00 0.00 C +ATOM 609 HD1 ILE 39 -34.000 -8.209 34.799 1.00 0.00 +ATOM 610 HD2 ILE 39 -34.598 -9.087 36.039 1.00 0.00 +ATOM 611 HD3 ILE 39 -34.571 -9.715 34.532 1.00 0.00 +ATOM 612 C ILE 39 -38.459 -10.323 36.976 1.00 0.00 C +ATOM 613 O ILE 39 -38.631 -11.400 36.406 1.00 0.00 O +ATOM 614 N MET 40 -39.305 -9.851 37.909 1.00 0.00 N +ATOM 615 HN MET 40 -39.120 -8.965 38.334 1.00 0.00 +ATOM 616 CA MET 40 -40.463 -10.590 38.305 1.00 0.00 C +ATOM 617 HA MET 40 -40.163 -11.542 38.362 1.00 0.00 +ATOM 618 CB MET 40 -41.031 -10.120 39.656 1.00 0.00 C +ATOM 619 HB1 MET 40 -41.879 -10.618 39.837 1.00 0.00 +ATOM 620 HB2 MET 40 -40.364 -10.325 40.372 1.00 0.00 +ATOM 621 CG MET 40 -41.334 -8.619 39.692 1.00 0.00 C +ATOM 622 HG1 MET 40 -40.436 -8.188 39.597 1.00 0.00 +ATOM 623 HG2 MET 40 -41.869 -8.460 38.862 1.00 0.00 +ATOM 624 SD MET 40 -42.207 -8.046 41.182 1.00 0.00 S +ATOM 625 CE MET 40 -40.792 -8.209 42.308 1.00 0.00 C +ATOM 626 HE1 MET 40 -41.065 -7.931 43.229 1.00 0.00 +ATOM 627 HE2 MET 40 -40.486 -9.161 42.324 1.00 0.00 +ATOM 628 HE3 MET 40 -40.045 -7.624 41.991 1.00 0.00 +ATOM 629 C MET 40 -41.510 -10.350 37.264 1.00 0.00 C +ATOM 630 O MET 40 -42.005 -9.235 37.101 1.00 0.00 O +ATOM 631 N ASP 41 -41.878 -11.419 36.535 1.00 0.00 N +ATOM 632 HN ASP 41 -41.491 -12.316 36.749 1.00 0.00 +ATOM 633 CA ASP 41 -42.815 -11.297 35.456 1.00 0.00 C +ATOM 634 HA ASP 41 -42.730 -10.334 35.201 1.00 0.00 +ATOM 635 CB ASP 41 -42.497 -12.231 34.280 1.00 0.00 C +ATOM 636 HB1 ASP 41 -41.565 -12.068 33.956 1.00 0.00 +ATOM 637 HB2 ASP 41 -42.589 -13.185 34.566 1.00 0.00 +ATOM 638 CG ASP 41 -43.483 -11.937 33.162 1.00 0.00 C +ATOM 639 OD1 ASP 41 -44.109 -10.844 33.177 1.00 0.00 O +ATOM 640 OD2 ASP 41 -43.629 -12.813 32.275 1.00 0.00 O +ATOM 641 C ASP 41 -44.194 -11.649 35.926 1.00 0.00 C +ATOM 642 O ASP 41 -44.409 -12.666 36.584 1.00 0.00 O +ATOM 643 N THR 42 -45.150 -10.734 35.677 1.00 0.00 N +ATOM 644 HN THR 42 -44.877 -9.866 35.263 1.00 0.00 +ATOM 645 CA THR 42 -46.541 -10.938 35.974 1.00 0.00 C +ATOM 646 HA THR 42 -46.490 -11.423 36.847 1.00 0.00 +ATOM 647 CB THR 42 -47.292 -9.656 36.120 1.00 0.00 C +ATOM 648 HB THR 42 -46.819 -9.043 36.753 1.00 0.00 +ATOM 649 OG1 THR 42 -48.552 -9.915 36.718 1.00 0.00 O +ATOM 650 HG1 THR 42 -49.057 -9.057 36.817 1.00 0.00 +ATOM 651 CG2 THR 42 -47.482 -9.022 34.732 1.00 0.00 C +ATOM 652 HG21 THR 42 -47.985 -8.163 34.824 1.00 0.00 +ATOM 653 HG22 THR 42 -46.588 -8.843 34.322 1.00 0.00 +ATOM 654 HG23 THR 42 -47.997 -9.648 34.147 1.00 0.00 +ATOM 655 C THR 42 -47.251 -11.754 34.918 1.00 0.00 C +ATOM 656 O THR 42 -48.142 -12.542 35.234 1.00 0.00 O +ATOM 657 N ALA 43 -46.871 -11.561 33.636 1.00 0.00 N +ATOM 658 HN ALA 43 -46.058 -10.999 33.481 1.00 0.00 +ATOM 659 CA ALA 43 -47.534 -12.094 32.469 1.00 0.00 C +ATOM 660 HA ALA 43 -48.463 -11.753 32.612 1.00 0.00 +ATOM 661 CB ALA 43 -46.905 -11.600 31.156 1.00 0.00 C +ATOM 662 HB1 ALA 43 -47.398 -11.996 30.381 1.00 0.00 +ATOM 663 HB2 ALA 43 -46.962 -10.603 31.113 1.00 0.00 +ATOM 664 HB3 ALA 43 -45.946 -11.881 31.120 1.00 0.00 +ATOM 665 C ALA 43 -47.536 -13.594 32.417 1.00 0.00 C +ATOM 666 O ALA 43 -48.542 -14.183 32.023 1.00 0.00 O +ATOM 667 N GLY 44 -46.442 -14.267 32.834 1.00 0.00 N +ATOM 668 HN GLY 44 -45.671 -13.778 33.241 1.00 0.00 +ATOM 669 CA GLY 44 -46.402 -15.698 32.684 1.00 0.00 C +ATOM 670 HA1 GLY 44 -46.162 -16.104 33.566 1.00 0.00 +ATOM 671 HA2 GLY 44 -47.309 -16.015 32.408 1.00 0.00 +ATOM 672 C GLY 44 -45.379 -16.064 31.642 1.00 0.00 C +ATOM 673 O GLY 44 -45.457 -17.130 31.030 1.00 0.00 O +ATOM 674 N ASN 45 -44.409 -15.156 31.407 1.00 0.00 N +ATOM 675 HN ASN 45 -44.452 -14.297 31.918 1.00 0.00 +ATOM 676 CA ASN 45 -43.317 -15.320 30.482 1.00 0.00 C +ATOM 677 HA ASN 45 -43.704 -15.871 29.742 1.00 0.00 +ATOM 678 CB ASN 45 -42.776 -13.985 29.945 1.00 0.00 C +ATOM 679 HB1 ASN 45 -42.470 -13.409 30.703 1.00 0.00 +ATOM 680 HB2 ASN 45 -42.012 -14.150 29.321 1.00 0.00 +ATOM 681 CG ASN 45 -43.905 -13.292 29.199 1.00 0.00 C +ATOM 682 OD1 ASN 45 -44.324 -13.734 28.131 1.00 0.00 O +ATOM 683 ND2 ASN 45 -44.423 -12.180 29.788 1.00 0.00 N +ATOM 684 HD21 ASN 45 -44.059 -11.862 30.663 1.00 0.00 +ATOM 685 HD22 ASN 45 -45.168 -11.681 29.345 1.00 0.00 +ATOM 686 C ASN 45 -42.186 -15.994 31.202 1.00 0.00 C +ATOM 687 O ASN 45 -42.344 -16.468 32.326 1.00 0.00 O +ATOM 688 N ASP 46 -41.011 -16.087 30.539 1.00 0.00 N +ATOM 689 HN ASP 46 -40.941 -15.714 29.614 1.00 0.00 +ATOM 690 CA ASP 46 -39.861 -16.710 31.135 1.00 0.00 C +ATOM 691 HA ASP 46 -40.239 -17.437 31.708 1.00 0.00 +ATOM 692 CB ASP 46 -38.889 -17.289 30.093 1.00 0.00 C +ATOM 693 HB1 ASP 46 -39.387 -17.880 29.459 1.00 0.00 +ATOM 694 HB2 ASP 46 -38.457 -16.544 29.585 1.00 0.00 +ATOM 695 CG ASP 46 -37.816 -18.103 30.798 1.00 0.00 C +ATOM 696 OD1 ASP 46 -37.974 -18.382 32.016 1.00 0.00 O +ATOM 697 OD2 ASP 46 -36.820 -18.462 30.115 1.00 0.00 O +ATOM 698 C ASP 46 -39.116 -15.662 31.912 1.00 0.00 C +ATOM 699 O ASP 46 -38.690 -14.645 31.365 1.00 0.00 O +ATOM 700 N PRO 47 -38.964 -15.893 33.191 1.00 0.00 N +ATOM 701 CD PRO 47 -39.940 -16.680 33.921 1.00 0.00 C +ATOM 702 HD1 PRO 47 -39.990 -17.602 33.536 1.00 0.00 +ATOM 703 HD2 PRO 47 -40.839 -16.246 33.863 1.00 0.00 +ATOM 704 CA PRO 47 -38.287 -14.958 34.053 1.00 0.00 C +ATOM 705 HA PRO 47 -38.579 -14.034 33.805 1.00 0.00 +ATOM 706 CB PRO 47 -38.688 -15.331 35.484 1.00 0.00 C +ATOM 707 HB1 PRO 47 -37.878 -15.411 36.064 1.00 0.00 +ATOM 708 HB2 PRO 47 -39.304 -14.642 35.865 1.00 0.00 +ATOM 709 CG PRO 47 -39.403 -16.690 35.358 1.00 0.00 C +ATOM 710 HG1 PRO 47 -38.763 -17.446 35.494 1.00 0.00 +ATOM 711 HG2 PRO 47 -40.151 -16.764 36.017 1.00 0.00 +ATOM 712 C PRO 47 -36.809 -14.915 33.823 1.00 0.00 C +ATOM 713 O PRO 47 -36.211 -15.958 33.564 1.00 0.00 O +ATOM 714 N TYR 48 -36.202 -13.714 33.924 1.00 0.00 N +ATOM 715 HN TYR 48 -36.745 -12.909 34.161 1.00 0.00 +ATOM 716 CA TYR 48 -34.794 -13.570 33.699 1.00 0.00 C +ATOM 717 HA TYR 48 -34.427 -14.486 33.863 1.00 0.00 +ATOM 718 CB TYR 48 -34.458 -13.124 32.266 1.00 0.00 C +ATOM 719 HB1 TYR 48 -33.488 -12.890 32.198 1.00 0.00 +ATOM 720 HB2 TYR 48 -34.670 -13.857 31.620 1.00 0.00 +ATOM 721 CG TYR 48 -35.271 -11.921 31.915 1.00 0.00 C +ATOM 722 CD1 TYR 48 -36.587 -12.059 31.532 1.00 0.00 C +ATOM 723 HD1 TYR 48 -36.996 -12.971 31.497 1.00 0.00 +ATOM 724 CE1 TYR 48 -37.346 -10.964 31.197 1.00 0.00 C +ATOM 725 HE1 TYR 48 -38.301 -11.082 30.926 1.00 0.00 +ATOM 726 CZ TYR 48 -36.793 -9.708 31.234 1.00 0.00 C +ATOM 727 OH TYR 48 -37.571 -8.581 30.890 1.00 0.00 O +ATOM 728 HH TYR 48 -37.014 -7.754 30.971 1.00 0.00 +ATOM 729 CD2 TYR 48 -34.724 -10.661 31.947 1.00 0.00 C +ATOM 730 HD2 TYR 48 -33.768 -10.543 32.216 1.00 0.00 +ATOM 731 CE2 TYR 48 -35.479 -9.561 31.613 1.00 0.00 C +ATOM 732 HE2 TYR 48 -35.070 -8.649 31.646 1.00 0.00 +ATOM 733 C TYR 48 -34.240 -12.578 34.675 1.00 0.00 C +ATOM 734 O TYR 48 -34.981 -11.807 35.284 1.00 0.00 O +ATOM 735 N CYS 49 -32.904 -12.595 34.870 1.00 0.00 N +ATOM 736 HN CYS 49 -32.328 -13.226 34.350 1.00 0.00 +ATOM 737 CA CYS 49 -32.317 -11.703 35.827 1.00 0.00 C +ATOM 738 HA CYS 49 -33.053 -11.060 36.040 1.00 0.00 +ATOM 739 CB CYS 49 -31.829 -12.432 37.090 1.00 0.00 C +ATOM 740 HB1 CYS 49 -32.624 -12.947 37.411 1.00 0.00 +ATOM 741 HB2 CYS 49 -31.130 -13.068 36.763 1.00 0.00 +ATOM 742 SG CYS 49 -31.186 -11.306 38.363 1.00 0.00 S +ATOM 743 HG1 CYS 49 -30.886 -11.836 39.156 1.00 0.00 +ATOM 744 C CYS 49 -31.131 -11.031 35.207 1.00 0.00 C +ATOM 745 O CYS 49 -30.400 -11.629 34.418 1.00 0.00 O +ATOM 746 N PHE 50 -30.919 -9.741 35.544 1.00 0.00 N +ATOM 747 HN PHE 50 -31.557 -9.259 36.145 1.00 0.00 +ATOM 748 CA PHE 50 -29.763 -9.078 35.024 1.00 0.00 C +ATOM 749 HA PHE 50 -29.454 -9.713 34.316 1.00 0.00 +ATOM 750 CB PHE 50 -30.024 -7.696 34.397 1.00 0.00 C +ATOM 751 HB1 PHE 50 -30.580 -7.132 35.007 1.00 0.00 +ATOM 752 HB2 PHE 50 -29.162 -7.228 34.204 1.00 0.00 +ATOM 753 CG PHE 50 -30.761 -7.919 33.121 1.00 0.00 C +ATOM 754 CD1 PHE 50 -30.085 -8.321 31.991 1.00 0.00 C +ATOM 755 HD1 PHE 50 -29.095 -8.459 32.031 1.00 0.00 +ATOM 756 CE1 PHE 50 -30.752 -8.535 30.809 1.00 0.00 C +ATOM 757 HE1 PHE 50 -30.247 -8.818 29.994 1.00 0.00 +ATOM 758 CZ PHE 50 -32.113 -8.359 30.749 1.00 0.00 C +ATOM 759 HZ PHE 50 -32.603 -8.514 29.891 1.00 0.00 +ATOM 760 CD2 PHE 50 -32.125 -7.753 33.055 1.00 0.00 C +ATOM 761 HD2 PHE 50 -32.631 -7.474 33.871 1.00 0.00 +ATOM 762 CE2 PHE 50 -32.797 -7.968 31.876 1.00 0.00 C +ATOM 763 HE2 PHE 50 -33.788 -7.840 31.837 1.00 0.00 +ATOM 764 C PHE 50 -28.784 -8.896 36.136 1.00 0.00 C +ATOM 765 O PHE 50 -29.068 -8.237 37.135 1.00 0.00 O +ATOM 766 N VAL 51 -27.587 -9.495 35.989 1.00 0.00 N +ATOM 767 HN VAL 51 -27.395 -10.046 35.177 1.00 0.00 +ATOM 768 CA VAL 51 -26.591 -9.337 37.006 1.00 0.00 C +ATOM 769 HA VAL 51 -27.033 -8.788 37.715 1.00 0.00 +ATOM 770 CB VAL 51 -26.148 -10.636 37.622 1.00 0.00 C +ATOM 771 HB VAL 51 -25.382 -10.485 38.247 1.00 0.00 +ATOM 772 CG1 VAL 51 -27.320 -11.216 38.432 1.00 0.00 C +ATOM 773 HG11 VAL 51 -27.041 -12.081 38.849 1.00 0.00 +ATOM 774 HG12 VAL 51 -27.582 -10.570 39.149 1.00 0.00 +ATOM 775 HG13 VAL 51 -28.099 -11.374 37.825 1.00 0.00 +ATOM 776 CG2 VAL 51 -25.661 -11.577 36.507 1.00 0.00 C +ATOM 777 HG21 VAL 51 -25.364 -12.444 36.908 1.00 0.00 +ATOM 778 HG22 VAL 51 -26.408 -11.746 35.863 1.00 0.00 +ATOM 779 HG23 VAL 51 -24.894 -11.153 36.024 1.00 0.00 +ATOM 780 C VAL 51 -25.402 -8.670 36.386 1.00 0.00 C +ATOM 781 O VAL 51 -24.904 -9.102 35.347 1.00 0.00 O +ATOM 782 N GLU 52 -24.908 -7.585 37.017 1.00 0.00 N +ATOM 783 HN GLU 52 -25.318 -7.270 37.873 1.00 0.00 +ATOM 784 CA GLU 52 -23.791 -6.886 36.451 1.00 0.00 C +ATOM 785 HA GLU 52 -23.659 -7.350 35.575 1.00 0.00 +ATOM 786 CB GLU 52 -24.016 -5.387 36.215 1.00 0.00 C +ATOM 787 HB1 GLU 52 -24.329 -4.973 37.070 1.00 0.00 +ATOM 788 HB2 GLU 52 -23.147 -4.973 35.943 1.00 0.00 +ATOM 789 CG GLU 52 -25.051 -5.094 35.130 1.00 0.00 C +ATOM 790 HG1 GLU 52 -24.761 -5.493 34.260 1.00 0.00 +ATOM 791 HG2 GLU 52 -25.940 -5.472 35.390 1.00 0.00 +ATOM 792 CD GLU 52 -25.147 -3.582 35.001 1.00 0.00 C +ATOM 793 OE1 GLU 52 -24.121 -2.960 34.616 1.00 0.00 O +ATOM 794 OE2 GLU 52 -26.240 -3.027 35.289 1.00 0.00 O +ATOM 795 C GLU 52 -22.640 -7.014 37.390 1.00 0.00 C +ATOM 796 O GLU 52 -22.814 -7.004 38.608 1.00 0.00 O +ATOM 797 N PHE 53 -21.422 -7.141 36.831 1.00 0.00 N +ATOM 798 HN PHE 53 -21.330 -7.111 35.836 1.00 0.00 +ATOM 799 CA PHE 53 -20.260 -7.318 37.643 1.00 0.00 C +ATOM 800 HA PHE 53 -20.643 -7.412 38.562 1.00 0.00 +ATOM 801 CB PHE 53 -19.419 -8.545 37.252 1.00 0.00 C +ATOM 802 HB1 PHE 53 -19.179 -8.512 36.282 1.00 0.00 +ATOM 803 HB2 PHE 53 -18.584 -8.589 37.801 1.00 0.00 +ATOM 804 CG PHE 53 -20.245 -9.755 37.514 1.00 0.00 C +ATOM 805 CD1 PHE 53 -20.242 -10.342 38.758 1.00 0.00 C +ATOM 806 HD1 PHE 53 -19.678 -9.952 39.486 1.00 0.00 +ATOM 807 CE1 PHE 53 -21.003 -11.456 39.012 1.00 0.00 C +ATOM 808 HE1 PHE 53 -20.990 -11.873 39.921 1.00 0.00 +ATOM 809 CZ PHE 53 -21.782 -11.998 38.018 1.00 0.00 C +ATOM 810 HZ PHE 53 -22.337 -12.809 38.200 1.00 0.00 +ATOM 811 CD2 PHE 53 -21.032 -10.301 36.525 1.00 0.00 C +ATOM 812 HD2 PHE 53 -21.050 -9.881 35.618 1.00 0.00 +ATOM 813 CE2 PHE 53 -21.793 -11.418 36.773 1.00 0.00 C +ATOM 814 HE2 PHE 53 -22.356 -11.810 36.045 1.00 0.00 +ATOM 815 C PHE 53 -19.375 -6.130 37.493 1.00 0.00 C +ATOM 816 O PHE 53 -19.470 -5.368 36.531 1.00 0.00 O +ATOM 817 N HIS 54 -18.524 -5.928 38.516 1.00 0.00 N +ATOM 818 HN HIS 54 -18.575 -6.541 39.305 1.00 0.00 +ATOM 819 CA HIS 54 -17.552 -4.881 38.530 1.00 0.00 C +ATOM 820 HA HIS 54 -18.070 -4.059 38.294 1.00 0.00 +ATOM 821 CB HIS 54 -16.877 -4.710 39.900 1.00 0.00 C +ATOM 822 HB1 HIS 54 -16.564 -5.600 40.233 1.00 0.00 +ATOM 823 HB2 HIS 54 -16.095 -4.093 39.813 1.00 0.00 +ATOM 824 ND1 HIS 54 -18.558 -4.880 41.800 1.00 0.00 N +ATOM 825 CG HIS 54 -17.826 -4.135 40.905 1.00 0.00 C +ATOM 826 CE1 HIS 54 -19.312 -4.005 42.513 1.00 0.00 C +ATOM 827 HE1 HIS 54 -19.944 -4.277 43.239 1.00 0.00 +ATOM 828 NE2 HIS 54 -19.115 -2.754 42.139 1.00 0.00 N +ATOM 829 HE2 HIS 54 -19.546 -1.930 42.506 1.00 0.00 +ATOM 830 CD2 HIS 54 -18.177 -2.839 41.124 1.00 0.00 C +ATOM 831 HD2 HIS 54 -17.809 -2.057 40.622 1.00 0.00 +ATOM 832 C HIS 54 -16.504 -5.197 37.516 1.00 0.00 C +ATOM 833 O HIS 54 -15.934 -4.290 36.908 1.00 0.00 O +ATOM 834 N GLU 55 -16.180 -6.489 37.316 1.00 0.00 N +ATOM 835 HN GLU 55 -16.609 -7.248 37.805 1.00 0.00 +ATOM 836 CA GLU 55 -15.160 -6.662 36.333 1.00 0.00 C +ATOM 837 HA GLU 55 -15.141 -5.774 35.873 1.00 0.00 +ATOM 838 CB GLU 55 -13.763 -6.921 36.924 1.00 0.00 C +ATOM 839 HB1 GLU 55 -13.085 -6.587 36.270 1.00 0.00 +ATOM 840 HB2 GLU 55 -13.688 -6.403 37.776 1.00 0.00 +ATOM 841 CG GLU 55 -13.409 -8.359 37.242 1.00 0.00 C +ATOM 842 HG1 GLU 55 -12.997 -8.427 38.150 1.00 0.00 +ATOM 843 HG2 GLU 55 -14.223 -8.939 37.201 1.00 0.00 +ATOM 844 CD GLU 55 -12.412 -8.759 36.170 1.00 0.00 C +ATOM 845 OE1 GLU 55 -12.312 -8.019 35.154 1.00 0.00 O +ATOM 846 OE2 GLU 55 -11.729 -9.800 36.360 1.00 0.00 O +ATOM 847 C GLU 55 -15.562 -7.718 35.351 1.00 0.00 C +ATOM 848 O GLU 55 -16.040 -8.795 35.708 1.00 0.00 O +ATOM 849 N HIS 56 -15.370 -7.391 34.059 1.00 0.00 N +ATOM 850 HN HIS 56 -14.913 -6.521 33.873 1.00 0.00 +ATOM 851 CA HIS 56 -15.762 -8.178 32.924 1.00 0.00 C +ATOM 852 HA HIS 56 -16.736 -8.337 33.083 1.00 0.00 +ATOM 853 CB HIS 56 -15.492 -7.448 31.604 1.00 0.00 C +ATOM 854 HB1 HIS 56 -15.941 -6.555 31.630 1.00 0.00 +ATOM 855 HB2 HIS 56 -14.506 -7.323 31.498 1.00 0.00 +ATOM 856 ND1 HIS 56 -17.252 -8.002 29.872 1.00 0.00 N +ATOM 857 CG HIS 56 -15.994 -8.180 30.399 1.00 0.00 C +ATOM 858 CE1 HIS 56 -17.336 -8.805 28.783 1.00 0.00 C +ATOM 859 HE1 HIS 56 -18.147 -8.873 28.203 1.00 0.00 +ATOM 860 NE2 HIS 56 -16.223 -9.487 28.576 1.00 0.00 N +ATOM 861 HE2 HIS 56 -16.034 -10.142 27.844 1.00 0.00 +ATOM 862 CD2 HIS 56 -15.379 -9.093 29.598 1.00 0.00 C +ATOM 863 HD2 HIS 56 -14.447 -9.431 29.730 1.00 0.00 +ATOM 864 C HIS 56 -14.999 -9.463 32.876 1.00 0.00 C +ATOM 865 O HIS 56 -15.539 -10.496 32.486 1.00 0.00 O +ATOM 866 N ARG 57 -13.708 -9.421 33.253 1.00 0.00 N +ATOM 867 HN ARG 57 -13.322 -8.558 33.578 1.00 0.00 +ATOM 868 CA ARG 57 -12.873 -10.586 33.200 1.00 0.00 C +ATOM 869 HA ARG 57 -12.887 -10.844 32.234 1.00 0.00 +ATOM 870 CB ARG 57 -11.434 -10.321 33.681 1.00 0.00 C +ATOM 871 HB1 ARG 57 -11.481 -9.732 34.488 1.00 0.00 +ATOM 872 HB2 ARG 57 -11.025 -11.198 33.932 1.00 0.00 +ATOM 873 CG ARG 57 -10.508 -9.648 32.663 1.00 0.00 C +ATOM 874 HG1 ARG 57 -11.037 -8.982 32.138 1.00 0.00 +ATOM 875 HG2 ARG 57 -9.775 -9.178 33.155 1.00 0.00 +ATOM 876 CD ARG 57 -9.883 -10.653 31.694 1.00 0.00 C +ATOM 877 HD1 ARG 57 -10.575 -11.020 31.073 1.00 0.00 +ATOM 878 HD2 ARG 57 -9.153 -10.222 31.163 1.00 0.00 +ATOM 879 NE ARG 57 -9.316 -11.758 32.519 1.00 0.00 N +ATOM 880 HE ARG 57 -9.026 -11.580 33.459 1.00 0.00 +ATOM 881 CZ ARG 57 -9.192 -13.012 31.994 1.00 0.00 C +ATOM 882 NH1 ARG 57 -9.519 -13.243 30.690 1.00 0.00 N +ATOM 883 HH11 ARG 57 -9.850 -12.493 30.117 1.00 0.00 +ATOM 884 HH12 ARG 57 -9.428 -14.162 30.307 1.00 0.00 +ATOM 885 NH2 ARG 57 -8.738 -14.035 32.775 1.00 0.00 N +ATOM 886 HH21 ARG 57 -8.497 -13.865 33.731 1.00 0.00 +ATOM 887 HH22 ARG 57 -8.647 -14.954 32.392 1.00 0.00 +ATOM 888 C ARG 57 -13.457 -11.634 34.094 1.00 0.00 C +ATOM 889 O ARG 57 -13.457 -12.813 33.744 1.00 0.00 O +ATOM 890 N HIS 58 -13.937 -11.229 35.289 1.00 0.00 N +ATOM 891 HN HIS 58 -13.873 -10.261 35.530 1.00 0.00 +ATOM 892 CA HIS 58 -14.538 -12.140 36.230 1.00 0.00 C +ATOM 893 HA HIS 58 -13.845 -12.860 36.255 1.00 0.00 +ATOM 894 CB HIS 58 -14.774 -11.568 37.646 1.00 0.00 C +ATOM 895 HB1 HIS 58 -15.179 -10.657 37.567 1.00 0.00 +ATOM 896 HB2 HIS 58 -15.401 -12.170 38.141 1.00 0.00 +ATOM 897 ND1 HIS 58 -13.201 -10.367 39.261 1.00 0.00 N +ATOM 898 CG HIS 58 -13.516 -11.444 38.460 1.00 0.00 C +ATOM 899 CE1 HIS 58 -11.982 -10.623 39.802 1.00 0.00 C +ATOM 900 HE1 HIS 58 -11.508 -10.003 40.428 1.00 0.00 +ATOM 901 NE2 HIS 58 -11.494 -11.785 39.407 1.00 0.00 N +ATOM 902 HE2 HIS 58 -10.620 -12.200 39.660 1.00 0.00 +ATOM 903 CD2 HIS 58 -12.463 -12.300 38.565 1.00 0.00 C +ATOM 904 HD2 HIS 58 -12.399 -13.181 38.097 1.00 0.00 +ATOM 905 C HIS 58 -15.860 -12.629 35.720 1.00 0.00 C +ATOM 906 O HIS 58 -16.227 -13.781 35.944 1.00 0.00 O +ATOM 907 N ALA 59 -16.610 -11.764 35.014 1.00 0.00 N +ATOM 908 HN ALA 59 -16.237 -10.857 34.816 1.00 0.00 +ATOM 909 CA ALA 59 -17.926 -12.088 34.531 1.00 0.00 C +ATOM 910 HA ALA 59 -18.440 -12.289 35.365 1.00 0.00 +ATOM 911 CB ALA 59 -18.574 -10.937 33.744 1.00 0.00 C +ATOM 912 HB1 ALA 59 -19.483 -11.216 33.433 1.00 0.00 +ATOM 913 HB2 ALA 59 -18.655 -10.134 34.334 1.00 0.00 +ATOM 914 HB3 ALA 59 -18.005 -10.713 32.952 1.00 0.00 +ATOM 915 C ALA 59 -17.839 -13.268 33.611 1.00 0.00 C +ATOM 916 O ALA 59 -18.744 -14.101 33.573 1.00 0.00 O +ATOM 917 N ALA 60 -16.745 -13.365 32.833 1.00 0.00 N +ATOM 918 HN ALA 60 -16.023 -12.678 32.919 1.00 0.00 +ATOM 919 CA ALA 60 -16.588 -14.430 31.883 1.00 0.00 C +ATOM 920 HA ALA 60 -17.366 -14.310 31.266 1.00 0.00 +ATOM 921 CB ALA 60 -15.251 -14.360 31.124 1.00 0.00 C +ATOM 922 HB1 ALA 60 -15.194 -15.122 30.478 1.00 0.00 +ATOM 923 HB2 ALA 60 -15.196 -13.495 30.625 1.00 0.00 +ATOM 924 HB3 ALA 60 -14.494 -14.418 31.775 1.00 0.00 +ATOM 925 C ALA 60 -16.616 -15.743 32.606 1.00 0.00 C +ATOM 926 O ALA 60 -17.211 -16.704 32.123 1.00 0.00 O +ATOM 927 N ALA 61 -15.961 -15.821 33.780 1.00 0.00 N +ATOM 928 HN ALA 61 -15.504 -15.004 34.132 1.00 0.00 +ATOM 929 CA ALA 61 -15.895 -17.036 34.546 1.00 0.00 C +ATOM 930 HA ALA 61 -15.529 -17.704 33.898 1.00 0.00 +ATOM 931 CB ALA 61 -14.989 -16.900 35.782 1.00 0.00 C +ATOM 932 HB1 ALA 61 -14.974 -17.766 36.281 1.00 0.00 +ATOM 933 HB2 ALA 61 -14.061 -16.667 35.491 1.00 0.00 +ATOM 934 HB3 ALA 61 -15.343 -16.178 36.377 1.00 0.00 +ATOM 935 C ALA 61 -17.266 -17.417 35.017 1.00 0.00 C +ATOM 936 O ALA 61 -17.630 -18.592 35.020 1.00 0.00 O +ATOM 937 N ALA 62 -18.062 -16.419 35.436 1.00 0.00 N +ATOM 938 HN ALA 62 -17.718 -15.481 35.385 1.00 0.00 +ATOM 939 CA ALA 62 -19.382 -16.637 35.953 1.00 0.00 C +ATOM 940 HA ALA 62 -19.235 -17.273 36.711 1.00 0.00 +ATOM 941 CB ALA 62 -20.051 -15.333 36.417 1.00 0.00 C +ATOM 942 HB1 ALA 62 -20.966 -15.534 36.768 1.00 0.00 +ATOM 943 HB2 ALA 62 -19.501 -14.915 37.140 1.00 0.00 +ATOM 944 HB3 ALA 62 -20.122 -14.702 35.645 1.00 0.00 +ATOM 945 C ALA 62 -20.249 -17.222 34.890 1.00 0.00 C +ATOM 946 O ALA 62 -21.096 -18.074 35.156 1.00 0.00 O +ATOM 947 N LEU 63 -20.075 -16.768 33.641 1.00 0.00 N +ATOM 948 HN LEU 63 -19.332 -16.132 33.433 1.00 0.00 +ATOM 949 CA LEU 63 -20.965 -17.203 32.608 1.00 0.00 C +ATOM 950 HA LEU 63 -21.883 -17.006 32.951 1.00 0.00 +ATOM 951 CB LEU 63 -20.716 -16.421 31.303 1.00 0.00 C +ATOM 952 HB1 LEU 63 -20.784 -15.445 31.512 1.00 0.00 +ATOM 953 HB2 LEU 63 -19.790 -16.631 30.991 1.00 0.00 +ATOM 954 CG LEU 63 -21.683 -16.723 30.145 1.00 0.00 C +ATOM 955 HG LEU 63 -22.615 -16.687 30.506 1.00 0.00 +ATOM 956 CD1 LEU 63 -21.549 -15.665 29.042 1.00 0.00 C +ATOM 957 HD11 LEU 63 -22.184 -15.876 28.299 1.00 0.00 +ATOM 958 HD12 LEU 63 -21.764 -14.763 29.417 1.00 0.00 +ATOM 959 HD13 LEU 63 -20.613 -15.666 28.691 1.00 0.00 +ATOM 960 CD2 LEU 63 -21.469 -18.134 29.580 1.00 0.00 C +ATOM 961 HD21 LEU 63 -22.113 -18.295 28.832 1.00 0.00 +ATOM 962 HD22 LEU 63 -20.533 -18.218 29.238 1.00 0.00 +ATOM 963 HD23 LEU 63 -21.622 -18.809 30.302 1.00 0.00 +ATOM 964 C LEU 63 -20.861 -18.687 32.416 1.00 0.00 C +ATOM 965 O LEU 63 -21.873 -19.386 32.417 1.00 0.00 O +ATOM 966 N ALA 64 -19.633 -19.221 32.295 1.00 0.00 N +ATOM 967 HN ALA 64 -18.830 -18.628 32.356 1.00 0.00 +ATOM 968 CA ALA 64 -19.456 -20.630 32.079 1.00 0.00 C +ATOM 969 HA ALA 64 -20.023 -20.811 31.275 1.00 0.00 +ATOM 970 CB ALA 64 -17.985 -21.010 31.830 1.00 0.00 C +ATOM 971 HB1 ALA 64 -17.916 -21.997 31.686 1.00 0.00 +ATOM 972 HB2 ALA 64 -17.649 -20.530 31.019 1.00 0.00 +ATOM 973 HB3 ALA 64 -17.435 -20.749 32.623 1.00 0.00 +ATOM 974 C ALA 64 -19.931 -21.397 33.274 1.00 0.00 C +ATOM 975 O ALA 64 -20.553 -22.448 33.135 1.00 0.00 O +ATOM 976 N ALA 65 -19.630 -20.904 34.490 1.00 0.00 N +ATOM 977 HN ALA 65 -19.166 -20.022 34.568 1.00 0.00 +ATOM 978 CA ALA 65 -19.971 -21.636 35.673 1.00 0.00 C +ATOM 979 HA ALA 65 -19.559 -22.530 35.494 1.00 0.00 +ATOM 980 CB ALA 65 -19.409 -20.986 36.947 1.00 0.00 C +ATOM 981 HB1 ALA 65 -19.672 -21.531 37.743 1.00 0.00 +ATOM 982 HB2 ALA 65 -18.412 -20.943 36.887 1.00 0.00 +ATOM 983 HB3 ALA 65 -19.777 -20.061 37.040 1.00 0.00 +ATOM 984 C ALA 65 -21.457 -21.753 35.835 1.00 0.00 C +ATOM 985 O ALA 65 -21.950 -22.810 36.214 1.00 0.00 O +ATOM 986 N MET 66 -22.198 -20.640 35.660 1.00 0.00 N +ATOM 987 HN MET 66 -21.726 -19.790 35.427 1.00 0.00 +ATOM 988 CA MET 66 -23.634 -20.609 35.790 1.00 0.00 C +ATOM 989 HA MET 66 -23.751 -21.284 36.519 1.00 0.00 +ATOM 990 CB MET 66 -24.147 -19.216 36.186 1.00 0.00 C +ATOM 991 HB1 MET 66 -23.722 -18.529 35.596 1.00 0.00 +ATOM 992 HB2 MET 66 -25.140 -19.186 36.071 1.00 0.00 +ATOM 993 CG MET 66 -23.803 -18.904 37.645 1.00 0.00 C +ATOM 994 HG1 MET 66 -24.267 -18.038 37.829 1.00 0.00 +ATOM 995 HG2 MET 66 -24.244 -19.635 38.165 1.00 0.00 +ATOM 996 SD MET 66 -22.019 -18.807 37.984 1.00 0.00 S +ATOM 997 CE MET 66 -22.108 -19.138 39.768 1.00 0.00 C +ATOM 998 HE1 MET 66 -21.186 -19.126 40.156 1.00 0.00 +ATOM 999 HE2 MET 66 -22.664 -18.435 40.210 1.00 0.00 +ATOM 1000 HE3 MET 66 -22.522 -20.035 39.920 1.00 0.00 +ATOM 1001 C MET 66 -24.410 -21.123 34.608 1.00 0.00 C +ATOM 1002 O MET 66 -25.474 -21.715 34.778 1.00 0.00 O +ATOM 1003 N ASN 67 -23.927 -20.903 33.370 1.00 0.00 N +ATOM 1004 HN ASN 67 -23.017 -20.508 33.248 1.00 0.00 +ATOM 1005 CA ASN 67 -24.730 -21.241 32.224 1.00 0.00 C +ATOM 1006 HA ASN 67 -25.570 -20.727 32.397 1.00 0.00 +ATOM 1007 CB ASN 67 -24.090 -20.832 30.881 1.00 0.00 C +ATOM 1008 HB1 ASN 67 -23.854 -19.861 30.901 1.00 0.00 +ATOM 1009 HB2 ASN 67 -23.264 -21.373 30.721 1.00 0.00 +ATOM 1010 CG ASN 67 -25.090 -21.088 29.755 1.00 0.00 C +ATOM 1011 OD1 ASN 67 -26.200 -20.557 29.754 1.00 0.00 O +ATOM 1012 ND2 ASN 67 -24.688 -21.929 28.765 1.00 0.00 N +ATOM 1013 HD21 ASN 67 -23.779 -22.344 28.800 1.00 0.00 +ATOM 1014 HD22 ASN 67 -25.302 -22.133 28.002 1.00 0.00 +ATOM 1015 C ASN 67 -24.985 -22.714 32.177 1.00 0.00 C +ATOM 1016 O ASN 67 -24.070 -23.528 32.290 1.00 0.00 O +ATOM 1017 N GLY 68 -26.270 -23.084 32.001 1.00 0.00 N +ATOM 1018 HN GLY 68 -26.981 -22.382 31.963 1.00 0.00 +ATOM 1019 CA GLY 68 -26.636 -24.464 31.868 1.00 0.00 C +ATOM 1020 HA1 GLY 68 -27.541 -24.515 31.446 1.00 0.00 +ATOM 1021 HA2 GLY 68 -25.967 -24.916 31.278 1.00 0.00 +ATOM 1022 C GLY 68 -26.656 -25.108 33.218 1.00 0.00 C +ATOM 1023 O GLY 68 -26.710 -26.333 33.316 1.00 0.00 O +ATOM 1024 N ARG 69 -26.611 -24.304 34.296 1.00 0.00 N +ATOM 1025 HN ARG 69 -26.578 -23.311 34.179 1.00 0.00 +ATOM 1026 CA ARG 69 -26.610 -24.871 35.613 1.00 0.00 C +ATOM 1027 HA ARG 69 -26.034 -25.684 35.533 1.00 0.00 +ATOM 1028 CB ARG 69 -26.036 -23.930 36.689 1.00 0.00 C +ATOM 1029 HB1 ARG 69 -25.217 -23.489 36.322 1.00 0.00 +ATOM 1030 HB2 ARG 69 -26.722 -23.235 36.903 1.00 0.00 +ATOM 1031 CG ARG 69 -25.655 -24.642 37.988 1.00 0.00 C +ATOM 1032 HG1 ARG 69 -26.473 -25.082 38.359 1.00 0.00 +ATOM 1033 HG2 ARG 69 -24.969 -25.338 37.778 1.00 0.00 +ATOM 1034 CD ARG 69 -25.083 -23.704 39.053 1.00 0.00 C +ATOM 1035 HD1 ARG 69 -25.754 -23.003 39.296 1.00 0.00 +ATOM 1036 HD2 ARG 69 -24.829 -24.220 39.871 1.00 0.00 +ATOM 1037 NE ARG 69 -23.871 -23.050 38.489 1.00 0.00 N +ATOM 1038 HE ARG 69 -23.856 -22.756 37.533 1.00 0.00 +ATOM 1039 CZ ARG 69 -22.779 -22.854 39.285 1.00 0.00 C +ATOM 1040 NH1 ARG 69 -22.779 -23.341 40.560 1.00 0.00 N +ATOM 1041 HH11 ARG 69 -23.575 -23.838 40.906 1.00 0.00 +ATOM 1042 HH12 ARG 69 -21.983 -23.201 41.149 1.00 0.00 +ATOM 1043 NH2 ARG 69 -21.691 -22.180 38.810 1.00 0.00 N +ATOM 1044 HH21 ARG 69 -21.691 -21.827 37.874 1.00 0.00 +ATOM 1045 HH22 ARG 69 -20.894 -22.040 39.398 1.00 0.00 +ATOM 1046 C ARG 69 -28.028 -25.186 35.971 1.00 0.00 C +ATOM 1047 O ARG 69 -28.949 -24.474 35.574 1.00 0.00 O +ATOM 1048 N LYS 70 -28.233 -26.282 36.728 1.00 0.00 N +ATOM 1049 HN LYS 70 -27.449 -26.825 37.027 1.00 0.00 +ATOM 1050 CA LYS 70 -29.554 -26.684 37.112 1.00 0.00 C +ATOM 1051 HA LYS 70 -30.142 -26.319 36.390 1.00 0.00 +ATOM 1052 CB LYS 70 -29.713 -28.210 37.235 1.00 0.00 C +ATOM 1053 HB1 LYS 70 -29.500 -28.624 36.350 1.00 0.00 +ATOM 1054 HB2 LYS 70 -29.068 -28.543 37.923 1.00 0.00 +ATOM 1055 CG LYS 70 -31.121 -28.649 37.645 1.00 0.00 C +ATOM 1056 HG1 LYS 70 -31.293 -28.324 38.575 1.00 0.00 +ATOM 1057 HG2 LYS 70 -31.776 -28.227 37.018 1.00 0.00 +ATOM 1058 CD LYS 70 -31.337 -30.165 37.618 1.00 0.00 C +ATOM 1059 HD1 LYS 70 -31.353 -30.465 36.664 1.00 0.00 +ATOM 1060 HD2 LYS 70 -30.572 -30.601 38.092 1.00 0.00 +ATOM 1061 CE LYS 70 -32.639 -30.614 38.287 1.00 0.00 C +ATOM 1062 HE1 LYS 70 -32.676 -30.274 39.227 1.00 0.00 +ATOM 1063 HE2 LYS 70 -33.424 -30.266 37.775 1.00 0.00 +ATOM 1064 NZ LYS 70 -32.710 -32.093 38.316 1.00 0.00 N +ATOM 1065 HZ1 LYS 70 -33.563 -32.377 38.754 1.00 0.00 +ATOM 1066 HZ2 LYS 70 -32.682 -32.446 37.381 1.00 0.00 +ATOM 1067 HZ3 LYS 70 -31.933 -32.454 38.832 1.00 0.00 +ATOM 1068 C LYS 70 -29.827 -26.111 38.464 1.00 0.00 C +ATOM 1069 O LYS 70 -29.073 -26.347 39.408 1.00 0.00 O +ATOM 1070 N ILE 71 -30.917 -25.323 38.583 1.00 0.00 N +ATOM 1071 HN ILE 71 -31.497 -25.158 37.785 1.00 0.00 +ATOM 1072 CA ILE 71 -31.254 -24.718 39.842 1.00 0.00 C +ATOM 1073 HA ILE 71 -30.589 -25.096 40.486 1.00 0.00 +ATOM 1074 CB ILE 71 -31.197 -23.217 39.784 1.00 0.00 C +ATOM 1075 HB ILE 71 -31.815 -22.888 39.070 1.00 0.00 +ATOM 1076 CG2 ILE 71 -31.663 -22.687 41.150 1.00 0.00 C +ATOM 1077 HG21 ILE 71 -31.637 -21.687 41.146 1.00 0.00 +ATOM 1078 HG22 ILE 71 -32.598 -22.996 41.326 1.00 0.00 +ATOM 1079 HG23 ILE 71 -31.057 -23.033 41.866 1.00 0.00 +ATOM 1080 CG1 ILE 71 -29.805 -22.709 39.363 1.00 0.00 C +ATOM 1081 HG11 ILE 71 -29.539 -23.175 38.519 1.00 0.00 +ATOM 1082 HG12 ILE 71 -29.864 -21.725 39.196 1.00 0.00 +ATOM 1083 CD ILE 71 -28.710 -22.946 40.397 1.00 0.00 C +ATOM 1084 HD1 ILE 71 -27.842 -22.590 40.051 1.00 0.00 +ATOM 1085 HD2 ILE 71 -28.947 -22.476 41.247 1.00 0.00 +ATOM 1086 HD3 ILE 71 -28.623 -23.927 40.571 1.00 0.00 +ATOM 1087 C ILE 71 -32.701 -25.016 40.140 1.00 0.00 C +ATOM 1088 O ILE 71 -33.585 -24.651 39.369 1.00 0.00 O +ATOM 1089 N MET 72 -32.981 -25.712 41.263 1.00 0.00 N +ATOM 1090 HN MET 72 -32.217 -26.085 41.789 1.00 0.00 +ATOM 1091 CA MET 72 -34.319 -25.949 41.747 1.00 0.00 C +ATOM 1092 HA MET 72 -34.130 -26.384 42.627 1.00 0.00 +ATOM 1093 CB MET 72 -35.170 -24.676 41.892 1.00 0.00 C +ATOM 1094 HB1 MET 72 -35.196 -24.212 41.007 1.00 0.00 +ATOM 1095 HB2 MET 72 -36.097 -24.945 42.155 1.00 0.00 +ATOM 1096 CG MET 72 -34.655 -23.683 42.929 1.00 0.00 C +ATOM 1097 HG1 MET 72 -33.726 -23.472 42.624 1.00 0.00 +ATOM 1098 HG2 MET 72 -35.237 -22.879 42.806 1.00 0.00 +ATOM 1099 SD MET 72 -34.687 -24.288 44.640 1.00 0.00 S +ATOM 1100 CE MET 72 -34.330 -22.660 45.360 1.00 0.00 C +ATOM 1101 HE1 MET 72 -34.294 -22.737 46.356 1.00 0.00 +ATOM 1102 HE2 MET 72 -33.449 -22.331 45.019 1.00 0.00 +ATOM 1103 HE3 MET 72 -35.050 -22.016 45.101 1.00 0.00 +ATOM 1104 C MET 72 -35.084 -26.820 40.793 1.00 0.00 C +ATOM 1105 O MET 72 -36.198 -27.246 41.093 1.00 0.00 O +ATOM 1106 N GLY 73 -34.487 -27.225 39.672 1.00 0.00 N +ATOM 1107 HN GLY 73 -33.528 -27.026 39.471 1.00 0.00 +ATOM 1108 CA GLY 73 -35.326 -27.968 38.776 1.00 0.00 C +ATOM 1109 HA1 GLY 73 -34.898 -28.857 38.610 1.00 0.00 +ATOM 1110 HA2 GLY 73 -36.214 -28.102 39.216 1.00 0.00 +ATOM 1111 C GLY 73 -35.498 -27.229 37.483 1.00 0.00 C +ATOM 1112 O GLY 73 -36.326 -27.612 36.658 1.00 0.00 O +ATOM 1113 N LYS 74 -34.751 -26.124 37.289 1.00 0.00 N +ATOM 1114 HN LYS 74 -34.171 -25.784 38.029 1.00 0.00 +ATOM 1115 CA LYS 74 -34.777 -25.429 36.034 1.00 0.00 C +ATOM 1116 HA LYS 74 -35.392 -25.974 35.464 1.00 0.00 +ATOM 1117 CB LYS 74 -35.261 -23.973 36.139 1.00 0.00 C +ATOM 1118 HB1 LYS 74 -34.762 -23.524 36.880 1.00 0.00 +ATOM 1119 HB2 LYS 74 -35.064 -23.509 35.276 1.00 0.00 +ATOM 1120 CG LYS 74 -36.755 -23.841 36.421 1.00 0.00 C +ATOM 1121 HG1 LYS 74 -36.997 -22.871 36.399 1.00 0.00 +ATOM 1122 HG2 LYS 74 -37.257 -24.326 35.705 1.00 0.00 +ATOM 1123 CD LYS 74 -37.169 -24.413 37.774 1.00 0.00 C +ATOM 1124 HD1 LYS 74 -36.798 -25.338 37.851 1.00 0.00 +ATOM 1125 HD2 LYS 74 -36.779 -23.837 38.492 1.00 0.00 +ATOM 1126 CE LYS 74 -38.682 -24.481 37.979 1.00 0.00 C +ATOM 1127 HE1 LYS 74 -39.033 -23.589 38.263 1.00 0.00 +ATOM 1128 HE2 LYS 74 -39.133 -24.762 37.132 1.00 0.00 +ATOM 1129 NZ LYS 74 -38.984 -25.472 39.034 1.00 0.00 N +ATOM 1130 HZ1 LYS 74 -39.973 -25.521 39.172 1.00 0.00 +ATOM 1131 HZ2 LYS 74 -38.642 -26.370 38.756 1.00 0.00 +ATOM 1132 HZ3 LYS 74 -38.541 -25.196 39.887 1.00 0.00 +ATOM 1133 C LYS 74 -33.361 -25.341 35.563 1.00 0.00 C +ATOM 1134 O LYS 74 -32.434 -25.309 36.370 1.00 0.00 O +ATOM 1135 N GLU 75 -33.154 -25.318 34.231 1.00 0.00 N +ATOM 1136 HN GLU 75 -33.927 -25.396 33.601 1.00 0.00 +ATOM 1137 CA GLU 75 -31.822 -25.181 33.722 1.00 0.00 C +ATOM 1138 HA GLU 75 -31.204 -25.396 34.478 1.00 0.00 +ATOM 1139 CB GLU 75 -31.535 -26.139 32.556 1.00 0.00 C +ATOM 1140 HB1 GLU 75 -32.224 -26.000 31.844 1.00 0.00 +ATOM 1141 HB2 GLU 75 -30.628 -25.938 32.186 1.00 0.00 +ATOM 1142 CG GLU 75 -31.574 -27.603 33.004 1.00 0.00 C +ATOM 1143 HG1 GLU 75 -30.814 -27.788 33.628 1.00 0.00 +ATOM 1144 HG2 GLU 75 -32.439 -27.793 33.468 1.00 0.00 +ATOM 1145 CD GLU 75 -31.450 -28.489 31.775 1.00 0.00 C +ATOM 1146 OE1 GLU 75 -31.571 -27.948 30.644 1.00 0.00 O +ATOM 1147 OE2 GLU 75 -31.236 -29.718 31.952 1.00 0.00 O +ATOM 1148 C GLU 75 -31.698 -23.765 33.252 1.00 0.00 C +ATOM 1149 O GLU 75 -32.353 -23.349 32.297 1.00 0.00 O +ATOM 1150 N VAL 76 -30.834 -22.986 33.931 1.00 0.00 N +ATOM 1151 HN VAL 76 -30.273 -23.396 34.650 1.00 0.00 +ATOM 1152 CA VAL 76 -30.695 -21.584 33.653 1.00 0.00 C +ATOM 1153 HA VAL 76 -31.633 -21.313 33.439 1.00 0.00 +ATOM 1154 CB VAL 76 -30.180 -20.783 34.815 1.00 0.00 C +ATOM 1155 HB VAL 76 -30.101 -19.816 34.574 1.00 0.00 +ATOM 1156 CG1 VAL 76 -31.192 -20.884 35.970 1.00 0.00 C +ATOM 1157 HG11 VAL 76 -30.861 -20.354 36.751 1.00 0.00 +ATOM 1158 HG12 VAL 76 -32.075 -20.522 35.672 1.00 0.00 +ATOM 1159 HG13 VAL 76 -31.298 -21.842 36.238 1.00 0.00 +ATOM 1160 CG2 VAL 76 -28.767 -21.273 35.169 1.00 0.00 C +ATOM 1161 HG21 VAL 76 -28.415 -20.745 35.942 1.00 0.00 +ATOM 1162 HG22 VAL 76 -28.802 -22.242 35.415 1.00 0.00 +ATOM 1163 HG23 VAL 76 -28.164 -21.151 34.380 1.00 0.00 +ATOM 1164 C VAL 76 -29.757 -21.363 32.513 1.00 0.00 C +ATOM 1165 O VAL 76 -28.961 -22.231 32.157 1.00 0.00 O +ATOM 1166 N LYS 77 -29.869 -20.178 31.876 1.00 0.00 N +ATOM 1167 HN LYS 77 -30.568 -19.520 32.156 1.00 0.00 +ATOM 1168 CA LYS 77 -28.980 -19.870 30.797 1.00 0.00 C +ATOM 1169 HA LYS 77 -28.308 -20.609 30.840 1.00 0.00 +ATOM 1170 CB LYS 77 -29.666 -19.830 29.427 1.00 0.00 C +ATOM 1171 HB1 LYS 77 -30.416 -19.169 29.465 1.00 0.00 +ATOM 1172 HB2 LYS 77 -28.997 -19.536 28.744 1.00 0.00 +ATOM 1173 CG LYS 77 -30.234 -21.179 28.996 1.00 0.00 C +ATOM 1174 HG1 LYS 77 -29.477 -21.822 28.875 1.00 0.00 +ATOM 1175 HG2 LYS 77 -30.844 -21.514 29.714 1.00 0.00 +ATOM 1176 CD LYS 77 -31.016 -21.096 27.691 1.00 0.00 C +ATOM 1177 HD1 LYS 77 -31.176 -22.025 27.357 1.00 0.00 +ATOM 1178 HD2 LYS 77 -31.893 -20.652 27.875 1.00 0.00 +ATOM 1179 CE LYS 77 -30.283 -20.304 26.605 1.00 0.00 C +ATOM 1180 HE1 LYS 77 -30.772 -20.382 25.736 1.00 0.00 +ATOM 1181 HE2 LYS 77 -30.221 -19.341 26.867 1.00 0.00 +ATOM 1182 NZ LYS 77 -28.913 -20.833 26.425 1.00 0.00 N +ATOM 1183 HZ1 LYS 77 -28.444 -20.309 25.714 1.00 0.00 +ATOM 1184 HZ2 LYS 77 -28.409 -20.753 27.285 1.00 0.00 +ATOM 1185 HZ3 LYS 77 -28.960 -21.794 26.154 1.00 0.00 +ATOM 1186 C LYS 77 -28.396 -18.512 31.025 1.00 0.00 C +ATOM 1187 O LYS 77 -29.119 -17.532 31.203 1.00 0.00 O +ATOM 1188 N VAL 78 -27.053 -18.419 31.011 1.00 0.00 N +ATOM 1189 HN VAL 78 -26.498 -19.237 30.859 1.00 0.00 +ATOM 1190 CA VAL 78 -26.418 -17.151 31.214 1.00 0.00 C +ATOM 1191 HA VAL 78 -27.127 -16.567 31.610 1.00 0.00 +ATOM 1192 CB VAL 78 -25.242 -17.210 32.144 1.00 0.00 C +ATOM 1193 HB VAL 78 -24.530 -17.810 31.779 1.00 0.00 +ATOM 1194 CG1 VAL 78 -24.646 -15.797 32.257 1.00 0.00 C +ATOM 1195 HG11 VAL 78 -23.859 -15.815 32.874 1.00 0.00 +ATOM 1196 HG12 VAL 78 -24.353 -15.485 31.353 1.00 0.00 +ATOM 1197 HG13 VAL 78 -25.338 -15.171 32.618 1.00 0.00 +ATOM 1198 CG2 VAL 78 -25.686 -17.820 33.485 1.00 0.00 C +ATOM 1199 HG21 VAL 78 -24.905 -17.861 34.108 1.00 0.00 +ATOM 1200 HG22 VAL 78 -26.404 -17.252 33.888 1.00 0.00 +ATOM 1201 HG23 VAL 78 -26.038 -18.743 33.331 1.00 0.00 +ATOM 1202 C VAL 78 -25.891 -16.704 29.890 1.00 0.00 C +ATOM 1203 O VAL 78 -25.019 -17.350 29.309 1.00 0.00 O +ATOM 1204 N ASN 79 -26.398 -15.559 29.393 1.00 0.00 N +ATOM 1205 HN ASN 79 -27.066 -15.045 29.931 1.00 0.00 +ATOM 1206 CA ASN 79 -25.999 -15.062 28.107 1.00 0.00 C +ATOM 1207 HA ASN 79 -25.372 -15.753 27.747 1.00 0.00 +ATOM 1208 CB ASN 79 -27.190 -14.852 27.160 1.00 0.00 C +ATOM 1209 HB1 ASN 79 -27.863 -14.242 27.579 1.00 0.00 +ATOM 1210 HB2 ASN 79 -26.879 -14.460 26.294 1.00 0.00 +ATOM 1211 CG ASN 79 -27.812 -16.217 26.915 1.00 0.00 C +ATOM 1212 OD1 ASN 79 -27.245 -17.057 26.218 1.00 0.00 O +ATOM 1213 ND2 ASN 79 -29.008 -16.456 27.520 1.00 0.00 N +ATOM 1214 HD21 ASN 79 -29.430 -15.751 28.090 1.00 0.00 +ATOM 1215 HD22 ASN 79 -29.465 -17.337 27.395 1.00 0.00 +ATOM 1216 C ASN 79 -25.361 -13.727 28.314 1.00 0.00 C +ATOM 1217 O ASN 79 -25.435 -13.157 29.402 1.00 0.00 O +ATOM 1218 N TRP 80 -24.692 -13.197 27.270 1.00 0.00 N +ATOM 1219 HN TRP 80 -24.633 -13.686 26.400 1.00 0.00 +ATOM 1220 CA TRP 80 -24.067 -11.917 27.434 1.00 0.00 C +ATOM 1221 HA TRP 80 -23.837 -11.901 28.407 1.00 0.00 +ATOM 1222 CB TRP 80 -22.793 -11.716 26.592 1.00 0.00 C +ATOM 1223 HB1 TRP 80 -22.990 -11.969 25.645 1.00 0.00 +ATOM 1224 HB2 TRP 80 -22.530 -10.752 26.632 1.00 0.00 +ATOM 1225 CG TRP 80 -21.614 -12.538 27.056 1.00 0.00 C +ATOM 1226 CD1 TRP 80 -21.101 -13.695 26.541 1.00 0.00 C +ATOM 1227 HD1 TRP 80 -21.457 -14.173 25.738 1.00 0.00 +ATOM 1228 NE1 TRP 80 -20.024 -14.105 27.290 1.00 0.00 N +ATOM 1229 HE1 TRP 80 -19.472 -14.922 27.120 1.00 0.00 +ATOM 1230 CE2 TRP 80 -19.831 -13.202 28.315 1.00 0.00 C +ATOM 1231 CD2 TRP 80 -20.805 -12.209 28.200 1.00 0.00 C +ATOM 1232 CE3 TRP 80 -20.865 -11.163 29.078 1.00 0.00 C +ATOM 1233 HE3 TRP 80 -21.559 -10.449 28.989 1.00 0.00 +ATOM 1234 CZ3 TRP 80 -19.930 -11.132 30.091 1.00 0.00 C +ATOM 1235 HZ3 TRP 80 -19.952 -10.385 30.755 1.00 0.00 +ATOM 1236 CZ2 TRP 80 -18.898 -13.159 29.313 1.00 0.00 C +ATOM 1237 HZ2 TRP 80 -18.192 -13.863 29.392 1.00 0.00 +ATOM 1238 CH2 TRP 80 -18.965 -12.112 30.206 1.00 0.00 C +ATOM 1239 HH2 TRP 80 -18.301 -12.061 30.952 1.00 0.00 +ATOM 1240 C TRP 80 -25.046 -10.861 27.041 1.00 0.00 C +ATOM 1241 O TRP 80 -25.489 -10.797 25.894 1.00 0.00 O +ATOM 1242 N ALA 81 -25.416 -10.006 28.016 1.00 0.00 N +ATOM 1243 HN ALA 81 -25.061 -10.135 28.942 1.00 0.00 +ATOM 1244 CA ALA 81 -26.307 -8.916 27.751 1.00 0.00 C +ATOM 1245 HA ALA 81 -26.819 -9.183 26.934 1.00 0.00 +ATOM 1246 CB ALA 81 -27.279 -8.626 28.909 1.00 0.00 C +ATOM 1247 HB1 ALA 81 -27.871 -7.858 28.663 1.00 0.00 +ATOM 1248 HB2 ALA 81 -27.839 -9.436 29.085 1.00 0.00 +ATOM 1249 HB3 ALA 81 -26.759 -8.395 29.731 1.00 0.00 +ATOM 1250 C ALA 81 -25.448 -7.711 27.569 1.00 0.00 C +ATOM 1251 O ALA 81 -24.756 -7.276 28.488 1.00 0.00 O +ATOM 1252 N THR 82 -25.506 -7.119 26.364 1.00 0.00 N +ATOM 1253 HN THR 82 -26.156 -7.458 25.684 1.00 0.00 +ATOM 1254 CA THR 82 -24.659 -6.014 26.030 1.00 0.00 C +ATOM 1255 HA THR 82 -23.725 -6.335 26.186 1.00 0.00 +ATOM 1256 CB THR 82 -24.830 -5.593 24.601 1.00 0.00 C +ATOM 1257 HB THR 82 -25.785 -5.360 24.418 1.00 0.00 +ATOM 1258 OG1 THR 82 -24.555 -6.680 23.730 1.00 0.00 O +ATOM 1259 HG1 THR 82 -24.673 -6.385 22.782 1.00 0.00 +ATOM 1260 CG2 THR 82 -23.875 -4.426 24.311 1.00 0.00 C +ATOM 1261 HG21 THR 82 -23.981 -4.137 23.360 1.00 0.00 +ATOM 1262 HG22 THR 82 -24.090 -3.661 24.918 1.00 0.00 +ATOM 1263 HG23 THR 82 -22.932 -4.720 24.467 1.00 0.00 +ATOM 1264 C THR 82 -25.025 -4.855 26.894 1.00 0.00 C +ATOM 1265 O THR 82 -26.199 -4.530 27.063 1.00 0.00 O +ATOM 1266 N THR 83 -24.004 -4.187 27.462 1.00 0.00 N +ATOM 1267 HN THR 83 -23.061 -4.483 27.312 1.00 0.00 +ATOM 1268 CA THR 83 -24.282 -3.054 28.280 1.00 0.00 C +ATOM 1269 HA THR 83 -25.176 -3.199 28.704 1.00 0.00 +ATOM 1270 CB THR 83 -23.316 -2.877 29.409 1.00 0.00 C +ATOM 1271 HB THR 83 -23.223 -3.728 29.925 1.00 0.00 +ATOM 1272 OG1 THR 83 -23.847 -1.942 30.332 1.00 0.00 O +ATOM 1273 HG1 THR 83 -23.205 -1.820 31.089 1.00 0.00 +ATOM 1274 CG2 THR 83 -21.953 -2.408 28.871 1.00 0.00 C +ATOM 1275 HG21 THR 83 -21.316 -2.293 29.633 1.00 0.00 +ATOM 1276 HG22 THR 83 -21.593 -3.091 28.235 1.00 0.00 +ATOM 1277 HG23 THR 83 -22.065 -1.536 28.395 1.00 0.00 +ATOM 1278 C THR 83 -24.225 -1.887 27.352 1.00 0.00 C +ATOM 1279 O THR 83 -23.324 -1.768 26.526 1.00 0.00 O +ATOM 1280 N PRO 84 -25.215 -1.051 27.462 1.00 0.00 N +ATOM 1281 CD PRO 84 -26.483 -1.487 28.024 1.00 0.00 C +ATOM 1282 HD1 PRO 84 -26.491 -1.306 29.007 1.00 0.00 +ATOM 1283 HD2 PRO 84 -26.598 -2.468 27.865 1.00 0.00 +ATOM 1284 CA PRO 84 -25.381 0.009 26.507 1.00 0.00 C +ATOM 1285 HA PRO 84 -25.203 -0.401 25.613 1.00 0.00 +ATOM 1286 CB PRO 84 -26.799 0.536 26.709 1.00 0.00 C +ATOM 1287 HB1 PRO 84 -26.803 1.306 27.347 1.00 0.00 +ATOM 1288 HB2 PRO 84 -27.197 0.823 25.838 1.00 0.00 +ATOM 1289 CG PRO 84 -27.559 -0.669 27.293 1.00 0.00 C +ATOM 1290 HG1 PRO 84 -28.266 -0.366 27.932 1.00 0.00 +ATOM 1291 HG2 PRO 84 -27.978 -1.210 26.564 1.00 0.00 +ATOM 1292 C PRO 84 -24.365 1.087 26.538 1.00 0.00 C +ATOM 1293 O PRO 84 -24.017 1.566 27.618 1.00 0.00 O +ATOM 1294 N SER 85 -23.902 1.503 25.345 1.00 0.00 N +ATOM 1295 HN SER 85 -24.159 1.036 24.499 1.00 0.00 +ATOM 1296 CA SER 85 -23.036 2.629 25.329 1.00 0.00 C +ATOM 1297 HA SER 85 -22.581 2.638 26.220 1.00 0.00 +ATOM 1298 CB SER 85 -21.964 2.599 24.225 1.00 0.00 C +ATOM 1299 HB1 SER 85 -22.365 2.345 23.345 1.00 0.00 +ATOM 1300 HB2 SER 85 -21.512 3.487 24.142 1.00 0.00 +ATOM 1301 OG SER 85 -20.967 1.639 24.534 1.00 0.00 O +ATOM 1302 HG1 SER 85 -20.277 1.630 23.810 1.00 0.00 +ATOM 1303 C SER 85 -23.942 3.771 25.046 1.00 0.00 C +ATOM 1304 O SER 85 -23.797 4.502 24.068 1.00 0.00 O +ATOM 1305 N SER 86 -24.932 3.912 25.941 1.00 0.00 N +ATOM 1306 HN SER 86 -25.030 3.204 26.640 1.00 0.00 +ATOM 1307 CA SER 86 -25.852 4.998 25.965 1.00 0.00 C +ATOM 1308 HA SER 86 -25.700 5.594 25.177 1.00 0.00 +ATOM 1309 CB SER 86 -27.332 4.559 25.955 1.00 0.00 C +ATOM 1310 HB1 SER 86 -27.538 4.022 25.137 1.00 0.00 +ATOM 1311 HB2 SER 86 -27.549 4.022 26.770 1.00 0.00 +ATOM 1312 OG SER 86 -28.194 5.687 25.949 1.00 0.00 O +ATOM 1313 HG1 SER 86 -29.145 5.379 25.943 1.00 0.00 +ATOM 1314 C SER 86 -25.546 5.530 27.312 1.00 0.00 C +ATOM 1315 O SER 86 -25.407 4.746 28.250 1.00 0.00 O +ATOM 1316 N GLN 87 -25.436 6.860 27.453 1.00 0.00 N +ATOM 1317 HN GLN 87 -25.671 7.475 26.700 1.00 0.00 +ATOM 1318 CA GLN 87 -24.976 7.377 28.703 1.00 0.00 C +ATOM 1319 HA GLN 87 -24.932 8.368 28.573 1.00 0.00 +ATOM 1320 CB GLN 87 -25.908 7.087 29.895 1.00 0.00 C +ATOM 1321 HB1 GLN 87 -26.810 7.473 29.700 1.00 0.00 +ATOM 1322 HB2 GLN 87 -25.987 6.097 30.008 1.00 0.00 +ATOM 1323 CG GLN 87 -25.396 7.687 31.208 1.00 0.00 C +ATOM 1324 HG1 GLN 87 -24.459 7.382 31.376 1.00 0.00 +ATOM 1325 HG2 GLN 87 -25.417 8.685 31.154 1.00 0.00 +ATOM 1326 CD GLN 87 -26.294 7.220 32.345 1.00 0.00 C +ATOM 1327 OE1 GLN 87 -26.525 6.024 32.513 1.00 0.00 O +ATOM 1328 NE2 GLN 87 -26.807 8.185 33.152 1.00 0.00 N +ATOM 1329 HE21 GLN 87 -26.588 9.146 32.983 1.00 0.00 +ATOM 1330 HE22 GLN 87 -27.403 7.934 33.915 1.00 0.00 +ATOM 1331 C GLN 87 -23.649 6.724 28.952 1.00 0.00 C +ATOM 1332 O GLN 87 -23.371 6.232 30.045 1.00 0.00 O +ATOM 1333 N LYS 88 -22.814 6.666 27.894 1.00 0.00 N +ATOM 1334 HN LYS 88 -23.128 7.018 27.012 1.00 0.00 +ATOM 1335 CA LYS 88 -21.493 6.117 27.989 1.00 0.00 C +ATOM 1336 HA LYS 88 -21.319 6.040 28.971 1.00 0.00 +ATOM 1337 CB LYS 88 -21.345 4.736 27.324 1.00 0.00 C +ATOM 1338 HB1 LYS 88 -21.981 4.100 27.761 1.00 0.00 +ATOM 1339 HB2 LYS 88 -21.573 4.821 26.354 1.00 0.00 +ATOM 1340 CG LYS 88 -19.932 4.163 27.440 1.00 0.00 C +ATOM 1341 HG1 LYS 88 -19.904 3.283 26.966 1.00 0.00 +ATOM 1342 HG2 LYS 88 -19.293 4.797 27.004 1.00 0.00 +ATOM 1343 CD LYS 88 -19.499 3.952 28.893 1.00 0.00 C +ATOM 1344 HD1 LYS 88 -19.391 4.850 29.320 1.00 0.00 +ATOM 1345 HD2 LYS 88 -20.221 3.444 29.363 1.00 0.00 +ATOM 1346 CE LYS 88 -18.187 3.183 29.062 1.00 0.00 C +ATOM 1347 HE1 LYS 88 -17.505 3.524 28.415 1.00 0.00 +ATOM 1348 HE2 LYS 88 -17.845 3.291 29.995 1.00 0.00 +ATOM 1349 NZ LYS 88 -18.407 1.743 28.803 1.00 0.00 N +ATOM 1350 HZ1 LYS 88 -17.545 1.249 28.916 1.00 0.00 +ATOM 1351 HZ2 LYS 88 -19.082 1.387 29.449 1.00 0.00 +ATOM 1352 HZ3 LYS 88 -18.742 1.620 27.869 1.00 0.00 +ATOM 1353 C LYS 88 -20.583 7.065 27.269 1.00 0.00 C +ATOM 1354 O LYS 88 -20.979 7.707 26.296 1.00 0.00 O +ATOM 1355 N LEU 89 -19.330 7.209 27.739 1.00 0.00 N +ATOM 1356 HN LEU 89 -19.012 6.695 28.536 1.00 0.00 +ATOM 1357 CA LEU 89 -18.469 8.127 27.054 1.00 0.00 C +ATOM 1358 HA LEU 89 -19.055 8.478 26.323 1.00 0.00 +ATOM 1359 CB LEU 89 -17.947 9.263 27.948 1.00 0.00 C +ATOM 1360 HB1 LEU 89 -17.561 8.862 28.779 1.00 0.00 +ATOM 1361 HB2 LEU 89 -17.232 9.756 27.452 1.00 0.00 +ATOM 1362 CG LEU 89 -19.039 10.264 28.351 1.00 0.00 C +ATOM 1363 HG LEU 89 -19.687 9.802 28.956 1.00 0.00 +ATOM 1364 CD1 LEU 89 -18.459 11.432 29.164 1.00 0.00 C +ATOM 1365 HD11 LEU 89 -19.194 12.064 29.410 1.00 0.00 +ATOM 1366 HD12 LEU 89 -18.031 11.079 29.996 1.00 0.00 +ATOM 1367 HD13 LEU 89 -17.775 11.913 28.615 1.00 0.00 +ATOM 1368 CD2 LEU 89 -19.828 10.727 27.116 1.00 0.00 C +ATOM 1369 HD21 LEU 89 -20.534 11.377 27.396 1.00 0.00 +ATOM 1370 HD22 LEU 89 -19.206 11.168 26.469 1.00 0.00 +ATOM 1371 HD23 LEU 89 -20.257 9.937 26.679 1.00 0.00 +ATOM 1372 C LEU 89 -17.271 7.394 26.547 1.00 0.00 C +ATOM 1373 O LEU 89 -16.396 7.000 27.312 1.00 0.00 O +ATOM 1374 N PRO 90 -17.243 7.191 25.257 1.00 0.00 N +ATOM 1375 CD PRO 90 -18.475 6.783 24.596 1.00 0.00 C +ATOM 1376 HD1 PRO 90 -18.845 7.554 24.078 1.00 0.00 +ATOM 1377 HD2 PRO 90 -19.141 6.493 25.284 1.00 0.00 +ATOM 1378 CA PRO 90 -16.091 6.578 24.646 1.00 0.00 C +ATOM 1379 HA PRO 90 -15.658 5.956 25.299 1.00 0.00 +ATOM 1380 CB PRO 90 -16.592 5.852 23.399 1.00 0.00 C +ATOM 1381 HB1 PRO 90 -16.462 6.418 22.585 1.00 0.00 +ATOM 1382 HB2 PRO 90 -16.113 4.982 23.280 1.00 0.00 +ATOM 1383 CG PRO 90 -18.084 5.621 23.670 1.00 0.00 C +ATOM 1384 HG1 PRO 90 -18.609 5.651 22.819 1.00 0.00 +ATOM 1385 HG2 PRO 90 -18.231 4.741 24.121 1.00 0.00 +ATOM 1386 C PRO 90 -15.100 7.642 24.284 1.00 0.00 C +ATOM 1387 O PRO 90 -15.406 8.822 24.452 1.00 0.00 O +ATOM 1388 N GLN 91 -13.915 7.240 23.778 1.00 0.00 N +ATOM 1389 HN GLN 91 -13.722 6.261 23.719 1.00 0.00 +ATOM 1390 CA GLN 91 -12.921 8.172 23.321 1.00 0.00 C +ATOM 1391 HA GLN 91 -12.808 8.819 24.075 1.00 0.00 +ATOM 1392 CB GLN 91 -11.575 7.515 22.968 1.00 0.00 C +ATOM 1393 HB1 GLN 91 -11.234 7.036 23.777 1.00 0.00 +ATOM 1394 HB2 GLN 91 -11.727 6.857 22.230 1.00 0.00 +ATOM 1395 CG GLN 91 -10.503 8.509 22.512 1.00 0.00 C +ATOM 1396 HG1 GLN 91 -9.882 8.071 21.862 1.00 0.00 +ATOM 1397 HG2 GLN 91 -10.931 9.303 22.081 1.00 0.00 +ATOM 1398 CD GLN 91 -9.732 8.947 23.745 1.00 0.00 C +ATOM 1399 OE1 GLN 91 -9.615 10.136 24.039 1.00 0.00 O +ATOM 1400 NE2 GLN 91 -9.183 7.946 24.487 1.00 0.00 N +ATOM 1401 HE21 GLN 91 -9.301 6.993 24.207 1.00 0.00 +ATOM 1402 HE22 GLN 91 -8.662 8.163 25.312 1.00 0.00 +ATOM 1403 C GLN 91 -13.448 8.760 22.049 1.00 0.00 C +ATOM 1404 O GLN 91 -14.139 8.086 21.287 1.00 0.00 O +ATOM 1405 N THR 92 -13.142 10.049 21.795 1.00 0.00 N +ATOM 1406 HN THR 92 -12.556 10.554 22.429 1.00 0.00 +ATOM 1407 CA THR 92 -13.650 10.702 20.622 1.00 0.00 C +ATOM 1408 HA THR 92 -14.385 10.085 20.340 1.00 0.00 +ATOM 1409 CB THR 92 -14.193 12.073 20.870 1.00 0.00 C +ATOM 1410 HB THR 92 -14.514 12.490 20.019 1.00 0.00 +ATOM 1411 OG1 THR 92 -13.154 12.930 21.315 1.00 0.00 O +ATOM 1412 HG1 THR 92 -13.524 13.845 21.479 1.00 0.00 +ATOM 1413 CG2 THR 92 -15.301 11.971 21.930 1.00 0.00 C +ATOM 1414 HG21 THR 92 -15.676 12.881 22.109 1.00 0.00 +ATOM 1415 HG22 THR 92 -16.027 11.370 21.596 1.00 0.00 +ATOM 1416 HG23 THR 92 -14.920 11.596 22.775 1.00 0.00 +ATOM 1417 C THR 92 -12.576 10.857 19.600 1.00 0.00 C +ATOM 1418 O THR 92 -11.694 10.011 19.456 1.00 0.00 O +ATOM 1419 N GLY 93 -12.656 11.973 18.849 1.00 0.00 N +ATOM 1420 HN GLY 93 -13.435 12.589 18.968 1.00 0.00 +ATOM 1421 CA GLY 93 -11.645 12.296 17.880 1.00 0.00 C +ATOM 1422 HA1 GLY 93 -11.036 12.970 18.298 1.00 0.00 +ATOM 1423 HA2 GLY 93 -11.135 11.457 17.690 1.00 0.00 +ATOM 1424 C GLY 93 -12.210 12.851 16.590 1.00 0.00 C +ATOM 1425 O GLY 93 -11.972 14.026 16.300 1.00 0.00 O +ATOM 1426 N ASN 94 -12.927 12.040 15.774 1.00 0.00 N +ATOM 1427 HN ASN 94 -12.990 11.070 16.008 1.00 0.00 +ATOM 1428 CA ASN 94 -13.602 12.499 14.590 1.00 0.00 C +ATOM 1429 HA ASN 94 -13.407 13.473 14.471 1.00 0.00 +ATOM 1430 CB ASN 94 -13.136 11.799 13.289 1.00 0.00 C +ATOM 1431 HB1 ASN 94 -13.602 12.217 12.509 1.00 0.00 +ATOM 1432 HB2 ASN 94 -12.148 11.918 13.190 1.00 0.00 +ATOM 1433 CG ASN 94 -13.443 10.304 13.289 1.00 0.00 C +ATOM 1434 OD1 ASN 94 -13.730 9.732 12.239 1.00 0.00 O +ATOM 1435 ND2 ASN 94 -13.414 9.656 14.484 1.00 0.00 N +ATOM 1436 HD21 ASN 94 -13.197 10.159 15.321 1.00 0.00 +ATOM 1437 HD22 ASN 94 -13.609 8.676 14.526 1.00 0.00 +ATOM 1438 C ASN 94 -15.033 12.213 14.883 1.00 0.00 C +ATOM 1439 O ASN 94 -15.732 11.472 14.188 1.00 0.00 O +ATOM 1440 N HIS 95 -15.501 12.832 15.975 1.00 0.00 N +ATOM 1441 HN HIS 95 -14.901 13.437 16.498 1.00 0.00 +ATOM 1442 CA HIS 95 -16.844 12.635 16.395 1.00 0.00 C +ATOM 1443 HA HIS 95 -17.057 11.696 16.123 1.00 0.00 +ATOM 1444 CB HIS 95 -17.039 12.767 17.917 1.00 0.00 C +ATOM 1445 HB1 HIS 95 -16.422 13.467 18.275 1.00 0.00 +ATOM 1446 HB2 HIS 95 -17.985 13.025 18.113 1.00 0.00 +ATOM 1447 ND1 HIS 95 -15.817 10.550 18.168 1.00 0.00 N +ATOM 1448 CG HIS 95 -16.743 11.468 18.610 1.00 0.00 C +ATOM 1449 CE1 HIS 95 -15.876 9.493 19.016 1.00 0.00 C +ATOM 1450 HE1 HIS 95 -15.311 8.673 18.925 1.00 0.00 +ATOM 1451 NE2 HIS 95 -16.765 9.671 19.975 1.00 0.00 N +ATOM 1452 HE2 HIS 95 -16.993 9.046 20.721 1.00 0.00 +ATOM 1453 CD2 HIS 95 -17.311 10.916 19.717 1.00 0.00 C +ATOM 1454 HD2 HIS 95 -18.024 11.350 20.268 1.00 0.00 +ATOM 1455 C HIS 95 -17.698 13.604 15.669 1.00 0.00 C +ATOM 1456 O HIS 95 -17.307 14.739 15.395 1.00 0.00 O +ATOM 1457 N PHE 96 -18.899 13.134 15.305 1.00 0.00 N +ATOM 1458 HN PHE 96 -19.174 12.213 15.580 1.00 0.00 +ATOM 1459 CA PHE 96 -19.787 13.932 14.531 1.00 0.00 C +ATOM 1460 HA PHE 96 -19.384 14.845 14.467 1.00 0.00 +ATOM 1461 CB PHE 96 -19.996 13.304 13.139 1.00 0.00 C +ATOM 1462 HB1 PHE 96 -19.112 13.054 12.744 1.00 0.00 +ATOM 1463 HB2 PHE 96 -20.568 12.488 13.218 1.00 0.00 +ATOM 1464 CG PHE 96 -20.668 14.257 12.215 1.00 0.00 C +ATOM 1465 CD1 PHE 96 -22.036 14.376 12.184 1.00 0.00 C +ATOM 1466 HD1 PHE 96 -22.595 13.816 12.795 1.00 0.00 +ATOM 1467 CE1 PHE 96 -22.645 15.257 11.322 1.00 0.00 C +ATOM 1468 HE1 PHE 96 -23.642 15.339 11.314 1.00 0.00 +ATOM 1469 CZ PHE 96 -21.886 16.026 10.471 1.00 0.00 C +ATOM 1470 HZ PHE 96 -22.326 16.666 9.841 1.00 0.00 +ATOM 1471 CD2 PHE 96 -19.915 15.026 11.358 1.00 0.00 C +ATOM 1472 HD2 PHE 96 -18.919 14.942 11.364 1.00 0.00 +ATOM 1473 CE2 PHE 96 -20.519 15.908 10.494 1.00 0.00 C +ATOM 1474 HE2 PHE 96 -19.960 16.466 9.880 1.00 0.00 +ATOM 1475 C PHE 96 -21.098 13.925 15.249 1.00 0.00 C +ATOM 1476 O PHE 96 -21.507 12.899 15.791 1.00 0.00 O +ATOM 1477 N HIS 97 -21.783 15.086 15.292 1.00 0.00 N +ATOM 1478 HN HIS 97 -21.382 15.909 14.889 1.00 0.00 +ATOM 1479 CA HIS 97 -23.078 15.160 15.906 1.00 0.00 C +ATOM 1480 HA HIS 97 -23.169 14.285 16.382 1.00 0.00 +ATOM 1481 CB HIS 97 -23.251 16.333 16.899 1.00 0.00 C +ATOM 1482 HB1 HIS 97 -22.923 17.172 16.464 1.00 0.00 +ATOM 1483 HB2 HIS 97 -24.223 16.428 17.116 1.00 0.00 +ATOM 1484 ND1 HIS 97 -21.271 16.718 18.468 1.00 0.00 N +ATOM 1485 CG HIS 97 -22.511 16.180 18.201 1.00 0.00 C +ATOM 1486 CE1 HIS 97 -20.957 16.369 19.742 1.00 0.00 C +ATOM 1487 HE1 HIS 97 -20.105 16.629 20.197 1.00 0.00 +ATOM 1488 NE2 HIS 97 -21.904 15.647 20.311 1.00 0.00 N +ATOM 1489 HE2 HIS 97 -21.912 15.269 21.237 1.00 0.00 +ATOM 1490 CD2 HIS 97 -22.883 15.531 19.340 1.00 0.00 C +ATOM 1491 HD2 HIS 97 -23.745 15.038 19.458 1.00 0.00 +ATOM 1492 C HIS 97 -24.062 15.390 14.803 1.00 0.00 C +ATOM 1493 O HIS 97 -23.885 16.285 13.976 1.00 0.00 O +ATOM 1494 N VAL 98 -25.126 14.564 14.760 1.00 0.00 N +ATOM 1495 HN VAL 98 -25.207 13.832 15.436 1.00 0.00 +ATOM 1496 CA VAL 98 -26.142 14.716 13.763 1.00 0.00 C +ATOM 1497 HA VAL 98 -25.756 15.354 13.096 1.00 0.00 +ATOM 1498 CB VAL 98 -26.504 13.435 13.060 1.00 0.00 C +ATOM 1499 HB VAL 98 -26.829 12.753 13.715 1.00 0.00 +ATOM 1500 CG1 VAL 98 -27.660 13.704 12.078 1.00 0.00 C +ATOM 1501 HG11 VAL 98 -27.903 12.855 11.609 1.00 0.00 +ATOM 1502 HG12 VAL 98 -28.453 14.045 12.582 1.00 0.00 +ATOM 1503 HG13 VAL 98 -27.374 14.386 11.405 1.00 0.00 +ATOM 1504 CG2 VAL 98 -25.239 12.875 12.389 1.00 0.00 C +ATOM 1505 HG21 VAL 98 -25.462 12.022 11.916 1.00 0.00 +ATOM 1506 HG22 VAL 98 -24.889 13.540 11.729 1.00 0.00 +ATOM 1507 HG23 VAL 98 -24.543 12.698 13.085 1.00 0.00 +ATOM 1508 C VAL 98 -27.371 15.199 14.462 1.00 0.00 C +ATOM 1509 O VAL 98 -27.679 14.782 15.579 1.00 0.00 O +ATOM 1510 N PHE 99 -28.089 16.126 13.802 1.00 0.00 N +ATOM 1511 HN PHE 99 -27.754 16.429 12.910 1.00 0.00 +ATOM 1512 CA PHE 99 -29.304 16.708 14.295 1.00 0.00 C +ATOM 1513 HA PHE 99 -29.253 16.662 15.293 1.00 0.00 +ATOM 1514 CB PHE 99 -29.490 18.156 13.798 1.00 0.00 C +ATOM 1515 HB1 PHE 99 -28.895 18.770 14.316 1.00 0.00 +ATOM 1516 HB2 PHE 99 -29.261 18.212 12.826 1.00 0.00 +ATOM 1517 CG PHE 99 -30.906 18.604 13.978 1.00 0.00 C +ATOM 1518 CD1 PHE 99 -31.370 19.044 15.196 1.00 0.00 C +ATOM 1519 HD1 PHE 99 -30.755 19.060 15.985 1.00 0.00 +ATOM 1520 CE1 PHE 99 -32.674 19.462 15.338 1.00 0.00 C +ATOM 1521 HE1 PHE 99 -33.002 19.776 16.229 1.00 0.00 +ATOM 1522 CZ PHE 99 -33.527 19.450 14.260 1.00 0.00 C +ATOM 1523 HZ PHE 99 -34.474 19.754 14.366 1.00 0.00 +ATOM 1524 CD2 PHE 99 -31.769 18.602 12.903 1.00 0.00 C +ATOM 1525 HD2 PHE 99 -31.441 18.292 12.011 1.00 0.00 +ATOM 1526 CE2 PHE 99 -33.073 19.019 13.036 1.00 0.00 C +ATOM 1527 HE2 PHE 99 -33.687 19.009 12.247 1.00 0.00 +ATOM 1528 C PHE 99 -30.414 15.915 13.712 1.00 0.00 C +ATOM 1529 O PHE 99 -30.535 15.809 12.493 1.00 0.00 O +ATOM 1530 N VAL 100 -31.265 15.335 14.575 1.00 0.00 N +ATOM 1531 HN VAL 100 -31.142 15.454 15.560 1.00 0.00 +ATOM 1532 CA VAL 100 -32.348 14.547 14.075 1.00 0.00 C +ATOM 1533 HA VAL 100 -32.151 14.398 13.106 1.00 0.00 +ATOM 1534 CB VAL 100 -32.463 13.207 14.747 1.00 0.00 C +ATOM 1535 HB VAL 100 -32.635 13.315 15.726 1.00 0.00 +ATOM 1536 CG1 VAL 100 -33.669 12.451 14.161 1.00 0.00 C +ATOM 1537 HG11 VAL 100 -33.750 11.558 14.605 1.00 0.00 +ATOM 1538 HG12 VAL 100 -34.503 12.979 14.320 1.00 0.00 +ATOM 1539 HG13 VAL 100 -33.537 12.324 13.178 1.00 0.00 +ATOM 1540 CG2 VAL 100 -31.123 12.467 14.584 1.00 0.00 C +ATOM 1541 HG21 VAL 100 -31.181 11.572 15.026 1.00 0.00 +ATOM 1542 HG22 VAL 100 -30.925 12.347 13.611 1.00 0.00 +ATOM 1543 HG23 VAL 100 -30.393 13.002 15.009 1.00 0.00 +ATOM 1544 C VAL 100 -33.604 15.317 14.321 1.00 0.00 C +ATOM 1545 O VAL 100 -33.729 16.006 15.333 1.00 0.00 O +ATOM 1546 N GLY 101 -34.567 15.234 13.379 1.00 0.00 N +ATOM 1547 HN GLY 101 -34.433 14.647 12.581 1.00 0.00 +ATOM 1548 CA GLY 101 -35.785 15.986 13.518 1.00 0.00 C +ATOM 1549 HA1 GLY 101 -35.936 16.178 14.488 1.00 0.00 +ATOM 1550 HA2 GLY 101 -35.691 16.847 13.018 1.00 0.00 +ATOM 1551 C GLY 101 -36.919 15.177 12.961 1.00 0.00 C +ATOM 1552 O GLY 101 -36.716 14.097 12.413 1.00 0.00 O +ATOM 1553 N ASP 102 -38.151 15.708 13.129 1.00 0.00 N +ATOM 1554 HN ASP 102 -38.184 16.612 13.555 1.00 0.00 +ATOM 1555 CA ASP 102 -39.422 15.133 12.770 1.00 0.00 C +ATOM 1556 HA ASP 102 -39.951 15.655 13.439 1.00 0.00 +ATOM 1557 CB ASP 102 -40.130 15.534 11.448 1.00 0.00 C +ATOM 1558 HB1 ASP 102 -40.966 14.993 11.358 1.00 0.00 +ATOM 1559 HB2 ASP 102 -40.365 16.505 11.495 1.00 0.00 +ATOM 1560 CG ASP 102 -39.323 15.327 10.187 1.00 0.00 C +ATOM 1561 OD1 ASP 102 -38.459 16.202 9.927 1.00 0.00 O +ATOM 1562 OD2 ASP 102 -39.590 14.347 9.441 1.00 0.00 O +ATOM 1563 C ASP 102 -39.512 13.690 13.134 1.00 0.00 C +ATOM 1564 O ASP 102 -40.028 12.854 12.396 1.00 0.00 O +ATOM 1565 N LEU 103 -39.035 13.391 14.354 1.00 0.00 N +ATOM 1566 HN LEU 103 -38.605 14.111 14.898 1.00 0.00 +ATOM 1567 CA LEU 103 -39.125 12.072 14.894 1.00 0.00 C +ATOM 1568 HA LEU 103 -38.729 11.496 14.179 1.00 0.00 +ATOM 1569 CB LEU 103 -38.390 11.891 16.239 1.00 0.00 C +ATOM 1570 HB1 LEU 103 -38.653 12.650 16.834 1.00 0.00 +ATOM 1571 HB2 LEU 103 -38.699 11.029 16.641 1.00 0.00 +ATOM 1572 CG LEU 103 -36.851 11.854 16.184 1.00 0.00 C +ATOM 1573 HG LEU 103 -36.512 11.912 17.123 1.00 0.00 +ATOM 1574 CD1 LEU 103 -36.332 10.526 15.614 1.00 0.00 C +ATOM 1575 HD11 LEU 103 -35.332 10.540 15.594 1.00 0.00 +ATOM 1576 HD12 LEU 103 -36.644 9.771 16.191 1.00 0.00 +ATOM 1577 HD13 LEU 103 -36.682 10.402 14.686 1.00 0.00 +ATOM 1578 CD2 LEU 103 -36.283 13.068 15.448 1.00 0.00 C +ATOM 1579 HD21 LEU 103 -35.285 13.011 15.432 1.00 0.00 +ATOM 1580 HD22 LEU 103 -36.631 13.083 14.511 1.00 0.00 +ATOM 1581 HD23 LEU 103 -36.561 13.904 15.920 1.00 0.00 +ATOM 1582 C LEU 103 -40.563 11.824 15.195 1.00 0.00 C +ATOM 1583 O LEU 103 -41.269 12.706 15.685 1.00 0.00 O +ATOM 1584 N SER 104 -41.028 10.597 14.899 1.00 0.00 N +ATOM 1585 HN SER 104 -40.426 9.928 14.463 1.00 0.00 +ATOM 1586 CA SER 104 -42.379 10.246 15.205 1.00 0.00 C +ATOM 1587 HA SER 104 -42.956 10.973 14.832 1.00 0.00 +ATOM 1588 CB SER 104 -42.802 8.903 14.587 1.00 0.00 C +ATOM 1589 HB1 SER 104 -42.220 8.158 14.913 1.00 0.00 +ATOM 1590 HB2 SER 104 -43.757 8.696 14.798 1.00 0.00 +ATOM 1591 OG SER 104 -42.673 8.970 13.175 1.00 0.00 O +ATOM 1592 HG1 SER 104 -42.948 8.097 12.773 1.00 0.00 +ATOM 1593 C SER 104 -42.427 10.129 16.699 1.00 0.00 C +ATOM 1594 O SER 104 -41.420 9.809 17.325 1.00 0.00 O +ATOM 1595 N PRO 105 -43.559 10.386 17.293 1.00 0.00 N +ATOM 1596 CD PRO 105 -44.511 11.312 16.703 1.00 0.00 C +ATOM 1597 HD1 PRO 105 -45.129 10.812 16.096 1.00 0.00 +ATOM 1598 HD2 PRO 105 -44.018 12.007 16.179 1.00 0.00 +ATOM 1599 CA PRO 105 -43.656 10.361 18.730 1.00 0.00 C +ATOM 1600 HA PRO 105 -42.907 10.899 19.116 1.00 0.00 +ATOM 1601 CB PRO 105 -45.019 10.961 19.060 1.00 0.00 C +ATOM 1602 HB1 PRO 105 -45.722 10.250 19.095 1.00 0.00 +ATOM 1603 HB2 PRO 105 -44.992 11.447 19.934 1.00 0.00 +ATOM 1604 CG PRO 105 -45.267 11.932 17.890 1.00 0.00 C +ATOM 1605 HG1 PRO 105 -46.244 12.000 17.688 1.00 0.00 +ATOM 1606 HG2 PRO 105 -44.906 12.840 18.102 1.00 0.00 +ATOM 1607 C PRO 105 -43.404 9.007 19.314 1.00 0.00 C +ATOM 1608 O PRO 105 -43.032 8.922 20.483 1.00 0.00 O +ATOM 1609 N GLU 106 -43.594 7.943 18.516 1.00 0.00 N +ATOM 1610 HN GLU 106 -43.871 8.100 17.568 1.00 0.00 +ATOM 1611 CA GLU 106 -43.418 6.593 18.963 1.00 0.00 C +ATOM 1612 HA GLU 106 -44.059 6.486 19.723 1.00 0.00 +ATOM 1613 CB GLU 106 -43.669 5.571 17.841 1.00 0.00 C +ATOM 1614 HB1 GLU 106 -43.004 5.730 17.111 1.00 0.00 +ATOM 1615 HB2 GLU 106 -43.542 4.652 18.213 1.00 0.00 +ATOM 1616 CG GLU 106 -45.071 5.654 17.239 1.00 0.00 C +ATOM 1617 HG1 GLU 106 -45.286 4.808 16.751 1.00 0.00 +ATOM 1618 HG2 GLU 106 -45.747 5.804 17.961 1.00 0.00 +ATOM 1619 CD GLU 106 -45.075 6.829 16.271 1.00 0.00 C +ATOM 1620 OE1 GLU 106 -44.576 6.650 15.125 1.00 0.00 O +ATOM 1621 OE2 GLU 106 -45.568 7.919 16.661 1.00 0.00 O +ATOM 1622 C GLU 106 -41.982 6.433 19.334 1.00 0.00 C +ATOM 1623 O GLU 106 -41.633 5.689 20.250 1.00 0.00 O +ATOM 1624 N ILE 107 -41.113 7.141 18.597 1.00 0.00 N +ATOM 1625 HN ILE 107 -41.487 7.770 17.915 1.00 0.00 +ATOM 1626 CA ILE 107 -39.687 7.060 18.717 1.00 0.00 C +ATOM 1627 HA ILE 107 -39.513 6.092 18.536 1.00 0.00 +ATOM 1628 CB ILE 107 -38.965 7.938 17.733 1.00 0.00 C +ATOM 1629 HB ILE 107 -39.271 8.884 17.839 1.00 0.00 +ATOM 1630 CG2 ILE 107 -37.459 7.872 18.040 1.00 0.00 C +ATOM 1631 HG21 ILE 107 -36.961 8.451 17.394 1.00 0.00 +ATOM 1632 HG22 ILE 107 -37.294 8.195 18.972 1.00 0.00 +ATOM 1633 HG23 ILE 107 -37.142 6.927 17.953 1.00 0.00 +ATOM 1634 CG1 ILE 107 -39.314 7.537 16.292 1.00 0.00 C +ATOM 1635 HG11 ILE 107 -40.300 7.642 16.164 1.00 0.00 +ATOM 1636 HG12 ILE 107 -38.829 8.148 15.667 1.00 0.00 +ATOM 1637 CD ILE 107 -38.937 6.098 15.943 1.00 0.00 C +ATOM 1638 HD1 ILE 107 -39.192 5.907 14.995 1.00 0.00 +ATOM 1639 HD2 ILE 107 -37.951 5.975 16.054 1.00 0.00 +ATOM 1640 HD3 ILE 107 -39.422 5.470 16.551 1.00 0.00 +ATOM 1641 C ILE 107 -39.232 7.484 20.080 1.00 0.00 C +ATOM 1642 O ILE 107 -39.834 8.345 20.721 1.00 0.00 O +ATOM 1643 N THR 108 -38.162 6.824 20.570 1.00 0.00 N +ATOM 1644 HN THR 108 -37.791 6.056 20.049 1.00 0.00 +ATOM 1645 CA THR 108 -37.537 7.182 21.809 1.00 0.00 C +ATOM 1646 HA THR 108 -37.914 8.082 22.029 1.00 0.00 +ATOM 1647 CB THR 108 -37.864 6.261 22.948 1.00 0.00 C +ATOM 1648 HB THR 108 -38.851 6.235 23.108 1.00 0.00 +ATOM 1649 OG1 THR 108 -37.324 6.767 24.160 1.00 0.00 O +ATOM 1650 HG1 THR 108 -37.549 6.145 24.910 1.00 0.00 +ATOM 1651 CG2 THR 108 -37.287 4.872 22.641 1.00 0.00 C +ATOM 1652 HG21 THR 108 -37.499 4.249 23.394 1.00 0.00 +ATOM 1653 HG22 THR 108 -37.691 4.523 21.796 1.00 0.00 +ATOM 1654 HG23 THR 108 -36.295 4.939 22.533 1.00 0.00 +ATOM 1655 C THR 108 -36.046 7.173 21.594 1.00 0.00 C +ATOM 1656 O THR 108 -35.558 6.833 20.516 1.00 0.00 O +ATOM 1657 N THR 109 -35.276 7.557 22.632 1.00 0.00 N +ATOM 1658 HN THR 109 -35.713 7.782 23.503 1.00 0.00 +ATOM 1659 CA THR 109 -33.846 7.653 22.524 1.00 0.00 C +ATOM 1660 HA THR 109 -33.702 8.338 21.810 1.00 0.00 +ATOM 1661 CB THR 109 -33.190 8.084 23.802 1.00 0.00 C +ATOM 1662 HB THR 109 -33.465 7.489 24.557 1.00 0.00 +ATOM 1663 OG1 THR 109 -33.654 9.371 24.184 1.00 0.00 O +ATOM 1664 HG1 THR 109 -33.209 9.646 25.036 1.00 0.00 +ATOM 1665 CG2 THR 109 -31.666 8.103 23.588 1.00 0.00 C +ATOM 1666 HG21 THR 109 -31.214 8.389 24.433 1.00 0.00 +ATOM 1667 HG22 THR 109 -31.353 7.187 23.336 1.00 0.00 +ATOM 1668 HG23 THR 109 -31.440 8.745 22.856 1.00 0.00 +ATOM 1669 C THR 109 -33.284 6.313 22.186 1.00 0.00 C +ATOM 1670 O THR 109 -32.385 6.195 21.353 1.00 0.00 O +ATOM 1671 N GLU 110 -33.819 5.262 22.825 1.00 0.00 N +ATOM 1672 HN GLU 110 -34.587 5.411 23.447 1.00 0.00 +ATOM 1673 CA GLU 110 -33.321 3.933 22.641 1.00 0.00 C +ATOM 1674 HA GLU 110 -32.359 3.994 22.908 1.00 0.00 +ATOM 1675 CB GLU 110 -34.076 2.903 23.493 1.00 0.00 C +ATOM 1676 HB1 GLU 110 -35.041 2.914 23.231 1.00 0.00 +ATOM 1677 HB2 GLU 110 -33.693 1.996 23.317 1.00 0.00 +ATOM 1678 CG GLU 110 -33.974 3.192 24.990 1.00 0.00 C +ATOM 1679 HG1 GLU 110 -34.224 2.378 25.515 1.00 0.00 +ATOM 1680 HG2 GLU 110 -33.042 3.467 25.224 1.00 0.00 +ATOM 1681 CD GLU 110 -34.943 4.326 25.296 1.00 0.00 C +ATOM 1682 OE1 GLU 110 -36.165 4.042 25.380 1.00 0.00 O +ATOM 1683 OE2 GLU 110 -34.480 5.491 25.445 1.00 0.00 O +ATOM 1684 C GLU 110 -33.503 3.543 21.207 1.00 0.00 C +ATOM 1685 O GLU 110 -32.657 2.864 20.627 1.00 0.00 O +ATOM 1686 N ASP 111 -34.625 3.973 20.604 1.00 0.00 N +ATOM 1687 HN ASP 111 -35.238 4.574 21.117 1.00 0.00 +ATOM 1688 CA ASP 111 -34.990 3.615 19.262 1.00 0.00 C +ATOM 1689 HA ASP 111 -35.018 2.615 19.255 1.00 0.00 +ATOM 1690 CB ASP 111 -36.353 4.241 18.901 1.00 0.00 C +ATOM 1691 HB1 ASP 111 -37.012 4.047 19.628 1.00 0.00 +ATOM 1692 HB2 ASP 111 -36.249 5.230 18.800 1.00 0.00 +ATOM 1693 CG ASP 111 -36.878 3.666 17.595 1.00 0.00 C +ATOM 1694 OD1 ASP 111 -36.150 3.743 16.571 1.00 0.00 O +ATOM 1695 OD2 ASP 111 -38.031 3.156 17.601 1.00 0.00 O +ATOM 1696 C ASP 111 -33.951 4.101 18.291 1.00 0.00 C +ATOM 1697 O ASP 111 -33.491 3.343 17.440 1.00 0.00 O +ATOM 1698 N ILE 112 -33.523 5.373 18.417 1.00 0.00 N +ATOM 1699 HN ILE 112 -33.884 5.935 19.161 1.00 0.00 +ATOM 1700 CA ILE 112 -32.561 5.947 17.512 1.00 0.00 C +ATOM 1701 HA ILE 112 -32.973 5.833 16.608 1.00 0.00 +ATOM 1702 CB ILE 112 -32.314 7.411 17.755 1.00 0.00 C +ATOM 1703 HB ILE 112 -32.107 7.558 18.722 1.00 0.00 +ATOM 1704 CG2 ILE 112 -31.095 7.854 16.931 1.00 0.00 C +ATOM 1705 HG21 ILE 112 -30.923 8.827 17.086 1.00 0.00 +ATOM 1706 HG22 ILE 112 -30.294 7.325 17.211 1.00 0.00 +ATOM 1707 HG23 ILE 112 -31.275 7.698 15.960 1.00 0.00 +ATOM 1708 CG1 ILE 112 -33.581 8.222 17.442 1.00 0.00 C +ATOM 1709 HG11 ILE 112 -33.785 8.134 16.467 1.00 0.00 +ATOM 1710 HG12 ILE 112 -34.340 7.849 17.976 1.00 0.00 +ATOM 1711 CD ILE 112 -33.440 9.706 17.774 1.00 0.00 C +ATOM 1712 HD1 ILE 112 -34.292 10.180 17.550 1.00 0.00 +ATOM 1713 HD2 ILE 112 -33.246 9.812 18.749 1.00 0.00 +ATOM 1714 HD3 ILE 112 -32.690 10.097 17.240 1.00 0.00 +ATOM 1715 C ILE 112 -31.267 5.217 17.633 1.00 0.00 C +ATOM 1716 O ILE 112 -30.591 4.969 16.634 1.00 0.00 O +ATOM 1717 N LYS 113 -30.885 4.850 18.867 1.00 0.00 N +ATOM 1718 HN LYS 113 -31.476 5.029 19.654 1.00 0.00 +ATOM 1719 CA LYS 113 -29.626 4.202 19.042 1.00 0.00 C +ATOM 1720 HA LYS 113 -28.944 4.852 18.707 1.00 0.00 +ATOM 1721 CB LYS 113 -29.343 3.870 20.515 1.00 0.00 C +ATOM 1722 HB1 LYS 113 -29.604 4.655 21.076 1.00 0.00 +ATOM 1723 HB2 LYS 113 -29.893 3.076 20.776 1.00 0.00 +ATOM 1724 CG LYS 113 -27.877 3.550 20.788 1.00 0.00 C +ATOM 1725 HG1 LYS 113 -27.701 2.603 20.520 1.00 0.00 +ATOM 1726 HG2 LYS 113 -27.308 4.163 20.239 1.00 0.00 +ATOM 1727 CD LYS 113 -27.504 3.721 22.261 1.00 0.00 C +ATOM 1728 HD1 LYS 113 -28.262 3.387 22.821 1.00 0.00 +ATOM 1729 HD2 LYS 113 -26.687 3.175 22.447 1.00 0.00 +ATOM 1730 CE LYS 113 -27.216 5.175 22.647 1.00 0.00 C +ATOM 1731 HE1 LYS 113 -26.806 5.211 23.558 1.00 0.00 +ATOM 1732 HE2 LYS 113 -26.591 5.586 21.984 1.00 0.00 +ATOM 1733 NZ LYS 113 -28.468 5.964 22.664 1.00 0.00 N +ATOM 1734 HZ1 LYS 113 -28.263 6.909 22.917 1.00 0.00 +ATOM 1735 HZ2 LYS 113 -28.886 5.946 21.756 1.00 0.00 +ATOM 1736 HZ3 LYS 113 -29.101 5.570 23.330 1.00 0.00 +ATOM 1737 C LYS 113 -29.633 2.949 18.227 1.00 0.00 C +ATOM 1738 O LYS 113 -28.682 2.677 17.498 1.00 0.00 O +ATOM 1739 N ALA 114 -30.721 2.160 18.315 1.00 0.00 N +ATOM 1740 HN ALA 114 -31.478 2.436 18.907 1.00 0.00 +ATOM 1741 CA ALA 114 -30.817 0.933 17.578 1.00 0.00 C +ATOM 1742 HA ALA 114 -29.959 0.481 17.822 1.00 0.00 +ATOM 1743 CB ALA 114 -32.054 0.111 17.971 1.00 0.00 C +ATOM 1744 HB1 ALA 114 -32.079 -0.732 17.433 1.00 0.00 +ATOM 1745 HB2 ALA 114 -32.008 -0.115 18.944 1.00 0.00 +ATOM 1746 HB3 ALA 114 -32.880 0.645 17.791 1.00 0.00 +ATOM 1747 C ALA 114 -30.911 1.178 16.097 1.00 0.00 C +ATOM 1748 O ALA 114 -30.231 0.517 15.313 1.00 0.00 O +ATOM 1749 N ALA 115 -31.756 2.140 15.671 1.00 0.00 N +ATOM 1750 HN ALA 115 -32.209 2.732 16.338 1.00 0.00 +ATOM 1751 CA ALA 115 -32.012 2.323 14.264 1.00 0.00 C +ATOM 1752 HA ALA 115 -32.283 1.398 13.997 1.00 0.00 +ATOM 1753 CB ALA 115 -33.112 3.363 13.981 1.00 0.00 C +ATOM 1754 HB1 ALA 115 -33.245 3.447 12.993 1.00 0.00 +ATOM 1755 HB2 ALA 115 -33.967 3.069 14.409 1.00 0.00 +ATOM 1756 HB3 ALA 115 -32.838 4.248 14.357 1.00 0.00 +ATOM 1757 C ALA 115 -30.789 2.759 13.514 1.00 0.00 C +ATOM 1758 O ALA 115 -30.505 2.261 12.427 1.00 0.00 O +ATOM 1759 N PHE 116 -30.050 3.727 14.075 1.00 0.00 N +ATOM 1760 HN PHE 116 -30.334 4.062 14.973 1.00 0.00 +ATOM 1761 CA PHE 116 -28.883 4.320 13.486 1.00 0.00 C +ATOM 1762 HA PHE 116 -29.158 4.432 12.531 1.00 0.00 +ATOM 1763 CB PHE 116 -28.545 5.669 14.136 1.00 0.00 C +ATOM 1764 HB1 PHE 116 -28.531 5.591 15.133 1.00 0.00 +ATOM 1765 HB2 PHE 116 -27.661 6.008 13.815 1.00 0.00 +ATOM 1766 CG PHE 116 -29.633 6.603 13.713 1.00 0.00 C +ATOM 1767 CD1 PHE 116 -30.885 6.540 14.285 1.00 0.00 C +ATOM 1768 HD1 PHE 116 -31.069 5.861 14.996 1.00 0.00 +ATOM 1769 CE1 PHE 116 -31.887 7.399 13.891 1.00 0.00 C +ATOM 1770 HE1 PHE 116 -32.793 7.338 14.311 1.00 0.00 +ATOM 1771 CZ PHE 116 -31.641 8.339 12.922 1.00 0.00 C +ATOM 1772 HZ PHE 116 -32.364 8.967 12.635 1.00 0.00 +ATOM 1773 CD2 PHE 116 -29.399 7.548 12.744 1.00 0.00 C +ATOM 1774 HD2 PHE 116 -28.495 7.609 12.321 1.00 0.00 +ATOM 1775 CE2 PHE 116 -30.393 8.411 12.349 1.00 0.00 C +ATOM 1776 HE2 PHE 116 -30.208 9.094 11.642 1.00 0.00 +ATOM 1777 C PHE 116 -27.681 3.412 13.543 1.00 0.00 C +ATOM 1778 O PHE 116 -26.773 3.524 12.720 1.00 0.00 O +ATOM 1779 N ALA 117 -27.638 2.489 14.520 1.00 0.00 N +ATOM 1780 HN ALA 117 -28.457 2.332 15.072 1.00 0.00 +ATOM 1781 CA ALA 117 -26.455 1.719 14.799 1.00 0.00 C +ATOM 1782 HA ALA 117 -25.823 2.452 15.051 1.00 0.00 +ATOM 1783 CB ALA 117 -26.670 0.686 15.920 1.00 0.00 C +ATOM 1784 HB1 ALA 117 -25.821 0.180 16.074 1.00 0.00 +ATOM 1785 HB2 ALA 117 -26.934 1.157 16.761 1.00 0.00 +ATOM 1786 HB3 ALA 117 -27.394 0.050 15.653 1.00 0.00 +ATOM 1787 C ALA 117 -25.937 0.961 13.606 1.00 0.00 C +ATOM 1788 O ALA 117 -24.724 0.966 13.399 1.00 0.00 O +ATOM 1789 N PRO 118 -26.724 0.300 12.808 1.00 0.00 N +ATOM 1790 CD PRO 118 -27.912 -0.369 13.296 1.00 0.00 C +ATOM 1791 HD1 PRO 118 -28.553 0.300 13.673 1.00 0.00 +ATOM 1792 HD2 PRO 118 -27.667 -1.031 14.004 1.00 0.00 +ATOM 1793 CA PRO 118 -26.129 -0.417 11.710 1.00 0.00 C +ATOM 1794 HA PRO 118 -25.331 -0.919 12.043 1.00 0.00 +ATOM 1795 CB PRO 118 -27.206 -1.380 11.197 1.00 0.00 C +ATOM 1796 HB1 PRO 118 -27.378 -1.227 10.224 1.00 0.00 +ATOM 1797 HB2 PRO 118 -26.925 -2.329 11.341 1.00 0.00 +ATOM 1798 CG PRO 118 -28.461 -1.049 12.033 1.00 0.00 C +ATOM 1799 HG1 PRO 118 -29.067 -0.429 11.534 1.00 0.00 +ATOM 1800 HG2 PRO 118 -28.960 -1.883 12.270 1.00 0.00 +ATOM 1801 C PRO 118 -25.496 0.482 10.691 1.00 0.00 C +ATOM 1802 O PRO 118 -24.529 0.063 10.055 1.00 0.00 O +ATOM 1803 N PHE 119 -26.055 1.690 10.479 1.00 0.00 N +ATOM 1804 HN PHE 119 -26.886 1.936 10.977 1.00 0.00 +ATOM 1805 CA PHE 119 -25.488 2.632 9.557 1.00 0.00 C +ATOM 1806 HA PHE 119 -25.324 2.066 8.749 1.00 0.00 +ATOM 1807 CB PHE 119 -26.416 3.823 9.273 1.00 0.00 C +ATOM 1808 HB1 PHE 119 -26.625 4.311 10.120 1.00 0.00 +ATOM 1809 HB2 PHE 119 -25.987 4.451 8.624 1.00 0.00 +ATOM 1810 CG PHE 119 -27.680 3.305 8.686 1.00 0.00 C +ATOM 1811 CD1 PHE 119 -27.695 2.796 7.410 1.00 0.00 C +ATOM 1812 HD1 PHE 119 -26.849 2.769 6.877 1.00 0.00 +ATOM 1813 CE1 PHE 119 -28.862 2.323 6.859 1.00 0.00 C +ATOM 1814 HE1 PHE 119 -28.860 1.949 5.931 1.00 0.00 +ATOM 1815 CZ PHE 119 -30.031 2.362 7.578 1.00 0.00 C +ATOM 1816 HZ PHE 119 -30.880 2.018 7.178 1.00 0.00 +ATOM 1817 CD2 PHE 119 -28.856 3.350 9.399 1.00 0.00 C +ATOM 1818 HD2 PHE 119 -28.860 3.730 10.324 1.00 0.00 +ATOM 1819 CE2 PHE 119 -30.026 2.878 8.853 1.00 0.00 C +ATOM 1820 HE2 PHE 119 -30.874 2.910 9.383 1.00 0.00 +ATOM 1821 C PHE 119 -24.238 3.229 10.126 1.00 0.00 C +ATOM 1822 O PHE 119 -23.190 3.250 9.481 1.00 0.00 O +ATOM 1823 N GLY 120 -24.314 3.720 11.379 1.00 0.00 N +ATOM 1824 HN GLY 120 -25.151 3.617 11.917 1.00 0.00 +ATOM 1825 CA GLY 120 -23.173 4.392 11.926 1.00 0.00 C +ATOM 1826 HA1 GLY 120 -22.367 4.150 11.386 1.00 0.00 +ATOM 1827 HA2 GLY 120 -23.325 5.379 11.875 1.00 0.00 +ATOM 1828 C GLY 120 -22.995 3.968 13.342 1.00 0.00 C +ATOM 1829 O GLY 120 -23.954 3.673 14.054 1.00 0.00 O +ATOM 1830 N ARG 121 -21.731 3.969 13.798 1.00 0.00 N +ATOM 1831 HN ARG 121 -20.985 4.269 13.204 1.00 0.00 +ATOM 1832 CA ARG 121 -21.455 3.542 15.131 1.00 0.00 C +ATOM 1833 HA ARG 121 -22.123 2.828 15.343 1.00 0.00 +ATOM 1834 CB ARG 121 -20.045 2.960 15.269 1.00 0.00 C +ATOM 1835 HB1 ARG 121 -19.370 3.650 15.007 1.00 0.00 +ATOM 1836 HB2 ARG 121 -19.888 2.683 16.217 1.00 0.00 +ATOM 1837 CG ARG 121 -19.913 1.744 14.354 1.00 0.00 C +ATOM 1838 HG1 ARG 121 -19.873 2.054 13.404 1.00 0.00 +ATOM 1839 HG2 ARG 121 -19.070 1.256 14.581 1.00 0.00 +ATOM 1840 CD ARG 121 -21.100 0.793 14.519 1.00 0.00 C +ATOM 1841 HD1 ARG 121 -21.034 0.307 15.390 1.00 0.00 +ATOM 1842 HD2 ARG 121 -21.959 1.304 14.487 1.00 0.00 +ATOM 1843 NE ARG 121 -21.079 -0.196 13.406 1.00 0.00 N +ATOM 1844 HE ARG 121 -20.575 -1.053 13.511 1.00 0.00 +ATOM 1845 CZ ARG 121 -21.745 0.062 12.242 1.00 0.00 C +ATOM 1846 NH1 ARG 121 -22.344 1.272 12.044 1.00 0.00 N +ATOM 1847 HH11 ARG 121 -22.297 1.975 12.753 1.00 0.00 +ATOM 1848 HH12 ARG 121 -22.830 1.455 11.190 1.00 0.00 +ATOM 1849 NH2 ARG 121 -21.806 -0.890 11.266 1.00 0.00 N +ATOM 1850 HH21 ARG 121 -21.363 -1.776 11.403 1.00 0.00 +ATOM 1851 HH22 ARG 121 -22.294 -0.702 10.413 1.00 0.00 +ATOM 1852 C ARG 121 -21.632 4.720 16.022 1.00 0.00 C +ATOM 1853 O ARG 121 -21.005 5.764 15.844 1.00 0.00 O +ATOM 1854 N ILE 122 -22.507 4.556 17.031 1.00 0.00 N +ATOM 1855 HN ILE 122 -22.899 3.653 17.205 1.00 0.00 +ATOM 1856 CA ILE 122 -22.881 5.659 17.856 1.00 0.00 C +ATOM 1857 HA ILE 122 -22.572 6.456 17.336 1.00 0.00 +ATOM 1858 CB ILE 122 -24.358 5.708 18.109 1.00 0.00 C +ATOM 1859 HB ILE 122 -24.651 4.871 18.571 1.00 0.00 +ATOM 1860 CG2 ILE 122 -24.634 6.915 19.019 1.00 0.00 C +ATOM 1861 HG21 ILE 122 -25.615 6.974 19.206 1.00 0.00 +ATOM 1862 HG22 ILE 122 -24.137 6.804 19.879 1.00 0.00 +ATOM 1863 HG23 ILE 122 -24.330 7.752 18.564 1.00 0.00 +ATOM 1864 CG1 ILE 122 -25.137 5.757 16.785 1.00 0.00 C +ATOM 1865 HG11 ILE 122 -25.060 6.677 16.402 1.00 0.00 +ATOM 1866 HG12 ILE 122 -24.734 5.097 16.151 1.00 0.00 +ATOM 1867 CD ILE 122 -26.619 5.425 16.949 1.00 0.00 C +ATOM 1868 HD1 ILE 122 -27.072 5.473 16.059 1.00 0.00 +ATOM 1869 HD2 ILE 122 -26.715 4.502 17.323 1.00 0.00 +ATOM 1870 HD3 ILE 122 -27.041 6.083 17.573 1.00 0.00 +ATOM 1871 C ILE 122 -22.233 5.540 19.193 1.00 0.00 C +ATOM 1872 O ILE 122 -22.195 4.472 19.802 1.00 0.00 O +ATOM 1873 N SER 123 -21.618 6.648 19.640 1.00 0.00 N +ATOM 1874 HN SER 123 -21.526 7.438 19.034 1.00 0.00 +ATOM 1875 CA SER 123 -21.094 6.716 20.967 1.00 0.00 C +ATOM 1876 HA SER 123 -20.603 5.858 21.115 1.00 0.00 +ATOM 1877 CB SER 123 -20.140 7.903 21.160 1.00 0.00 C +ATOM 1878 HB1 SER 123 -20.591 8.766 20.933 1.00 0.00 +ATOM 1879 HB2 SER 123 -19.800 7.941 22.100 1.00 0.00 +ATOM 1880 OG SER 123 -19.022 7.755 20.297 1.00 0.00 O +ATOM 1881 HG1 SER 123 -18.400 8.528 20.422 1.00 0.00 +ATOM 1882 C SER 123 -22.268 6.897 21.877 1.00 0.00 C +ATOM 1883 O SER 123 -22.350 6.268 22.929 1.00 0.00 O +ATOM 1884 N ASP 124 -23.207 7.787 21.478 1.00 0.00 N +ATOM 1885 HN ASP 124 -23.067 8.283 20.621 1.00 0.00 +ATOM 1886 CA ASP 124 -24.398 8.044 22.242 1.00 0.00 C +ATOM 1887 HA ASP 124 -24.660 7.140 22.581 1.00 0.00 +ATOM 1888 CB ASP 124 -24.194 9.018 23.419 1.00 0.00 C +ATOM 1889 HB1 ASP 124 -23.454 8.694 24.009 1.00 0.00 +ATOM 1890 HB2 ASP 124 -23.971 9.930 23.075 1.00 0.00 +ATOM 1891 CG ASP 124 -25.495 9.072 24.211 1.00 0.00 C +ATOM 1892 OD1 ASP 124 -26.131 7.998 24.379 1.00 0.00 O +ATOM 1893 OD2 ASP 124 -25.880 10.193 24.640 1.00 0.00 O +ATOM 1894 C ASP 124 -25.402 8.678 21.323 1.00 0.00 C +ATOM 1895 O ASP 124 -25.036 9.332 20.352 1.00 0.00 O +ATOM 1896 N ALA 125 -26.707 8.459 21.591 1.00 0.00 N +ATOM 1897 HN ALA 125 -26.956 7.854 22.347 1.00 0.00 +ATOM 1898 CA ALA 125 -27.745 9.075 20.816 1.00 0.00 C +ATOM 1899 HA ALA 125 -27.299 9.811 20.306 1.00 0.00 +ATOM 1900 CB ALA 125 -28.447 8.116 19.839 1.00 0.00 C +ATOM 1901 HB1 ALA 125 -29.155 8.612 19.336 1.00 0.00 +ATOM 1902 HB2 ALA 125 -27.777 7.747 19.195 1.00 0.00 +ATOM 1903 HB3 ALA 125 -28.866 7.366 20.351 1.00 0.00 +ATOM 1904 C ALA 125 -28.767 9.518 21.802 1.00 0.00 C +ATOM 1905 O ALA 125 -29.016 8.842 22.799 1.00 0.00 O +ATOM 1906 N ARG 126 -29.383 10.685 21.554 1.00 0.00 N +ATOM 1907 HN ARG 126 -29.181 11.207 20.725 1.00 0.00 +ATOM 1908 CA ARG 126 -30.332 11.159 22.505 1.00 0.00 C +ATOM 1909 HA ARG 126 -30.633 10.340 22.993 1.00 0.00 +ATOM 1910 CB ARG 126 -29.704 12.174 23.469 1.00 0.00 C +ATOM 1911 HB1 ARG 126 -30.420 12.555 24.054 1.00 0.00 +ATOM 1912 HB2 ARG 126 -29.023 11.709 24.035 1.00 0.00 +ATOM 1913 CG ARG 126 -29.024 13.314 22.718 1.00 0.00 C +ATOM 1914 HG1 ARG 126 -28.625 12.946 21.878 1.00 0.00 +ATOM 1915 HG2 ARG 126 -29.716 13.998 22.487 1.00 0.00 +ATOM 1916 CD ARG 126 -27.918 13.994 23.524 1.00 0.00 C +ATOM 1917 HD1 ARG 126 -28.261 14.826 23.961 1.00 0.00 +ATOM 1918 HD2 ARG 126 -27.559 13.374 24.222 1.00 0.00 +ATOM 1919 NE ARG 126 -26.837 14.344 22.563 1.00 0.00 N +ATOM 1920 HE ARG 126 -26.935 15.155 21.986 1.00 0.00 +ATOM 1921 CZ ARG 126 -25.714 13.576 22.456 1.00 0.00 C +ATOM 1922 NH1 ARG 126 -25.529 12.486 23.256 1.00 0.00 N +ATOM 1923 HH11 ARG 126 -26.222 12.240 23.933 1.00 0.00 +ATOM 1924 HH12 ARG 126 -24.700 11.934 23.165 1.00 0.00 +ATOM 1925 NH2 ARG 126 -24.757 13.921 21.549 1.00 0.00 N +ATOM 1926 HH21 ARG 126 -24.883 14.728 20.972 1.00 0.00 +ATOM 1927 HH22 ARG 126 -23.929 13.367 21.460 1.00 0.00 +ATOM 1928 C ARG 126 -31.480 11.785 21.796 1.00 0.00 C +ATOM 1929 O ARG 126 -31.326 12.538 20.834 1.00 0.00 O +ATOM 1930 N VAL 127 -32.684 11.457 22.285 1.00 0.00 N +ATOM 1931 HN VAL 127 -32.732 10.813 23.048 1.00 0.00 +ATOM 1932 CA VAL 127 -33.896 11.988 21.762 1.00 0.00 C +ATOM 1933 HA VAL 127 -33.671 12.439 20.898 1.00 0.00 +ATOM 1934 CB VAL 127 -34.946 10.934 21.543 1.00 0.00 C +ATOM 1935 HB VAL 127 -35.146 10.454 22.397 1.00 0.00 +ATOM 1936 CG1 VAL 127 -36.258 11.599 21.099 1.00 0.00 C +ATOM 1937 HG11 VAL 127 -36.955 10.897 20.954 1.00 0.00 +ATOM 1938 HG12 VAL 127 -36.567 12.234 21.808 1.00 0.00 +ATOM 1939 HG13 VAL 127 -36.106 12.099 20.247 1.00 0.00 +ATOM 1940 CG2 VAL 127 -34.399 9.898 20.552 1.00 0.00 C +ATOM 1941 HG21 VAL 127 -35.087 9.190 20.396 1.00 0.00 +ATOM 1942 HG22 VAL 127 -34.182 10.348 19.686 1.00 0.00 +ATOM 1943 HG23 VAL 127 -33.571 9.481 20.928 1.00 0.00 +ATOM 1944 C VAL 127 -34.419 12.848 22.847 1.00 0.00 C +ATOM 1945 O VAL 127 -34.402 12.470 24.018 1.00 0.00 O +ATOM 1946 N VAL 128 -34.871 14.055 22.490 1.00 0.00 N +ATOM 1947 HN VAL 128 -34.807 14.384 21.548 1.00 0.00 +ATOM 1948 CA VAL 128 -35.447 14.844 23.522 1.00 0.00 C +ATOM 1949 HA VAL 128 -34.939 14.689 24.369 1.00 0.00 +ATOM 1950 CB VAL 128 -35.395 16.312 23.219 1.00 0.00 C +ATOM 1951 HB VAL 128 -35.919 16.526 22.395 1.00 0.00 +ATOM 1952 CG1 VAL 128 -36.052 17.077 24.379 1.00 0.00 C +ATOM 1953 HG11 VAL 128 -36.024 18.058 24.189 1.00 0.00 +ATOM 1954 HG12 VAL 128 -37.003 16.783 24.476 1.00 0.00 +ATOM 1955 HG13 VAL 128 -35.557 16.887 25.227 1.00 0.00 +ATOM 1956 CG2 VAL 128 -33.932 16.707 22.942 1.00 0.00 C +ATOM 1957 HG21 VAL 128 -33.884 17.685 22.738 1.00 0.00 +ATOM 1958 HG22 VAL 128 -33.374 16.506 23.747 1.00 0.00 +ATOM 1959 HG23 VAL 128 -33.588 16.186 22.160 1.00 0.00 +ATOM 1960 C VAL 128 -36.869 14.407 23.534 1.00 0.00 C +ATOM 1961 O VAL 128 -37.653 14.783 22.664 1.00 0.00 O +ATOM 1962 N LYS 129 -37.233 13.565 24.520 1.00 0.00 N +ATOM 1963 HN LYS 129 -36.578 13.273 25.217 1.00 0.00 +ATOM 1964 CA LYS 129 -38.584 13.101 24.540 1.00 0.00 C +ATOM 1965 HA LYS 129 -38.982 13.598 23.769 1.00 0.00 +ATOM 1966 CB LYS 129 -38.775 11.582 24.317 1.00 0.00 C +ATOM 1967 HB1 LYS 129 -39.735 11.435 24.080 1.00 0.00 +ATOM 1968 HB2 LYS 129 -38.197 11.320 23.545 1.00 0.00 +ATOM 1969 CG LYS 129 -38.445 10.622 25.472 1.00 0.00 C +ATOM 1970 HG1 LYS 129 -38.850 11.003 26.303 1.00 0.00 +ATOM 1971 HG2 LYS 129 -38.876 9.744 25.264 1.00 0.00 +ATOM 1972 CD LYS 129 -36.968 10.344 25.772 1.00 0.00 C +ATOM 1973 HD1 LYS 129 -36.487 10.190 24.909 1.00 0.00 +ATOM 1974 HD2 LYS 129 -36.577 11.140 26.234 1.00 0.00 +ATOM 1975 CE LYS 129 -36.791 9.109 26.669 1.00 0.00 C +ATOM 1976 HE1 LYS 129 -36.995 9.348 27.618 1.00 0.00 +ATOM 1977 HE2 LYS 129 -37.407 8.381 26.368 1.00 0.00 +ATOM 1978 NZ LYS 129 -35.404 8.596 26.609 1.00 0.00 N +ATOM 1979 HZ1 LYS 129 -35.319 7.795 27.201 1.00 0.00 +ATOM 1980 HZ2 LYS 129 -35.184 8.340 25.668 1.00 0.00 +ATOM 1981 HZ3 LYS 129 -34.772 9.307 26.918 1.00 0.00 +ATOM 1982 C LYS 129 -39.193 13.468 25.849 1.00 0.00 C +ATOM 1983 O LYS 129 -38.495 13.845 26.790 1.00 0.00 O +ATOM 1984 N ASP 130 -40.538 13.392 25.918 1.00 0.00 N +ATOM 1985 HN ASP 130 -41.052 13.089 25.115 1.00 0.00 +ATOM 1986 CA ASP 130 -41.248 13.735 27.115 1.00 0.00 C +ATOM 1987 HA ASP 130 -40.952 14.673 27.298 1.00 0.00 +ATOM 1988 CB ASP 130 -42.779 13.665 26.983 1.00 0.00 C +ATOM 1989 HB1 ASP 130 -43.092 14.257 26.240 1.00 0.00 +ATOM 1990 HB2 ASP 130 -43.071 12.725 26.806 1.00 0.00 +ATOM 1991 CG ASP 130 -43.353 14.146 28.307 1.00 0.00 C +ATOM 1992 OD1 ASP 130 -42.642 14.929 28.992 1.00 0.00 O +ATOM 1993 OD2 ASP 130 -44.490 13.733 28.658 1.00 0.00 O +ATOM 1994 C ASP 130 -40.866 12.756 28.172 1.00 0.00 C +ATOM 1995 O ASP 130 -40.767 11.557 27.919 1.00 0.00 O +ATOM 1996 N MET 131 -40.624 13.262 29.396 1.00 0.00 N +ATOM 1997 HN MET 131 -40.731 14.244 29.552 1.00 0.00 +ATOM 1998 CA MET 131 -40.216 12.419 30.478 1.00 0.00 C +ATOM 1999 HA MET 131 -39.414 11.948 30.111 1.00 0.00 +ATOM 2000 CB MET 131 -39.881 13.219 31.749 1.00 0.00 C +ATOM 2001 HB1 MET 131 -39.229 13.939 31.511 1.00 0.00 +ATOM 2002 HB2 MET 131 -40.722 13.633 32.097 1.00 0.00 +ATOM 2003 CG MET 131 -39.270 12.366 32.861 1.00 0.00 C +ATOM 2004 HG1 MET 131 -39.341 12.938 33.678 1.00 0.00 +ATOM 2005 HG2 MET 131 -39.891 11.587 32.944 1.00 0.00 +ATOM 2006 SD MET 131 -37.560 11.843 32.542 1.00 0.00 S +ATOM 2007 CE MET 131 -37.590 10.492 33.755 1.00 0.00 C +ATOM 2008 HE1 MET 131 -36.704 10.029 33.760 1.00 0.00 +ATOM 2009 HE2 MET 131 -37.777 10.864 34.664 1.00 0.00 +ATOM 2010 HE3 MET 131 -38.306 9.839 33.509 1.00 0.00 +ATOM 2011 C MET 131 -41.318 11.466 30.827 1.00 0.00 C +ATOM 2012 O MET 131 -41.076 10.277 31.034 1.00 0.00 O +ATOM 2013 N ALA 132 -42.565 11.968 30.934 1.00 0.00 N +ATOM 2014 HN ALA 132 -42.742 12.927 30.713 1.00 0.00 +ATOM 2015 CA ALA 132 -43.639 11.116 31.367 1.00 0.00 C +ATOM 2016 HA ALA 132 -43.229 10.697 32.177 1.00 0.00 +ATOM 2017 CB ALA 132 -44.927 11.903 31.661 1.00 0.00 C +ATOM 2018 HB1 ALA 132 -45.643 11.271 31.958 1.00 0.00 +ATOM 2019 HB2 ALA 132 -44.752 12.571 32.384 1.00 0.00 +ATOM 2020 HB3 ALA 132 -45.224 12.378 30.833 1.00 0.00 +ATOM 2021 C ALA 132 -44.005 10.070 30.361 1.00 0.00 C +ATOM 2022 O ALA 132 -44.032 8.880 30.675 1.00 0.00 O +ATOM 2023 N THR 133 -44.307 10.505 29.120 1.00 0.00 N +ATOM 2024 HN THR 133 -44.212 11.482 28.928 1.00 0.00 +ATOM 2025 CA THR 133 -44.757 9.647 28.057 1.00 0.00 C +ATOM 2026 HA THR 133 -45.405 9.041 28.518 1.00 0.00 +ATOM 2027 CB THR 133 -45.451 10.404 26.959 1.00 0.00 C +ATOM 2028 HB THR 133 -45.684 9.790 26.205 1.00 0.00 +ATOM 2029 OG1 THR 133 -44.573 11.353 26.374 1.00 0.00 O +ATOM 2030 HG1 THR 133 -45.051 11.846 25.647 1.00 0.00 +ATOM 2031 CG2 THR 133 -46.681 11.114 27.554 1.00 0.00 C +ATOM 2032 HG21 THR 133 -47.153 11.622 26.834 1.00 0.00 +ATOM 2033 HG22 THR 133 -47.302 10.434 27.944 1.00 0.00 +ATOM 2034 HG23 THR 133 -46.387 11.747 28.270 1.00 0.00 +ATOM 2035 C THR 133 -43.628 8.860 27.463 1.00 0.00 C +ATOM 2036 O THR 133 -43.807 7.718 27.038 1.00 0.00 O +ATOM 2037 N GLY 134 -42.427 9.461 27.383 1.00 0.00 N +ATOM 2038 HN GLY 134 -42.307 10.389 27.736 1.00 0.00 +ATOM 2039 CA GLY 134 -41.320 8.769 26.791 1.00 0.00 C +ATOM 2040 HA1 GLY 134 -40.465 9.186 27.100 1.00 0.00 +ATOM 2041 HA2 GLY 134 -41.342 7.809 27.070 1.00 0.00 +ATOM 2042 C GLY 134 -41.471 8.898 25.310 1.00 0.00 C +ATOM 2043 O GLY 134 -40.815 8.196 24.543 1.00 0.00 O +ATOM 2044 N LYS 135 -42.357 9.812 24.872 1.00 0.00 N +ATOM 2045 HN LYS 135 -42.857 10.371 25.533 1.00 0.00 +ATOM 2046 CA LYS 135 -42.592 9.994 23.470 1.00 0.00 C +ATOM 2047 HA LYS 135 -42.372 9.111 23.055 1.00 0.00 +ATOM 2048 CB LYS 135 -44.042 10.395 23.150 1.00 0.00 C +ATOM 2049 HB1 LYS 135 -44.235 11.261 23.611 1.00 0.00 +ATOM 2050 HB2 LYS 135 -44.120 10.520 22.161 1.00 0.00 +ATOM 2051 CG LYS 135 -45.105 9.377 23.586 1.00 0.00 C +ATOM 2052 HG1 LYS 135 -44.981 9.201 24.563 1.00 0.00 +ATOM 2053 HG2 LYS 135 -46.005 9.786 23.433 1.00 0.00 +ATOM 2054 CD LYS 135 -45.071 8.029 22.857 1.00 0.00 C +ATOM 2055 HD1 LYS 135 -46.014 7.743 22.685 1.00 0.00 +ATOM 2056 HD2 LYS 135 -44.597 8.157 21.986 1.00 0.00 +ATOM 2057 CE LYS 135 -44.365 6.907 23.624 1.00 0.00 C +ATOM 2058 HE1 LYS 135 -44.499 7.028 24.608 1.00 0.00 +ATOM 2059 HE2 LYS 135 -44.730 6.019 23.344 1.00 0.00 +ATOM 2060 NZ LYS 135 -42.913 6.930 23.340 1.00 0.00 N +ATOM 2061 HZ1 LYS 135 -42.463 6.194 23.846 1.00 0.00 +ATOM 2062 HZ2 LYS 135 -42.763 6.801 22.360 1.00 0.00 +ATOM 2063 HZ3 LYS 135 -42.532 7.810 23.623 1.00 0.00 +ATOM 2064 C LYS 135 -41.710 11.113 23.017 1.00 0.00 C +ATOM 2065 O LYS 135 -41.447 12.054 23.763 1.00 0.00 O +ATOM 2066 N SER 136 -41.236 11.031 21.760 1.00 0.00 N +ATOM 2067 HN SER 136 -41.528 10.269 21.182 1.00 0.00 +ATOM 2068 CA SER 136 -40.327 12.000 21.223 1.00 0.00 C +ATOM 2069 HA SER 136 -39.624 12.051 21.933 1.00 0.00 +ATOM 2070 CB SER 136 -39.739 11.579 19.861 1.00 0.00 C +ATOM 2071 HB1 SER 136 -39.213 10.733 19.946 1.00 0.00 +ATOM 2072 HB2 SER 136 -40.463 11.455 19.183 1.00 0.00 +ATOM 2073 OG SER 136 -38.861 12.579 19.368 1.00 0.00 O +ATOM 2074 HG1 SER 136 -38.489 12.291 18.486 1.00 0.00 +ATOM 2075 C SER 136 -41.012 13.317 21.032 1.00 0.00 C +ATOM 2076 O SER 136 -42.202 13.390 20.729 1.00 0.00 O +ATOM 2077 N LYS 137 -40.242 14.394 21.286 1.00 0.00 N +ATOM 2078 HN LYS 137 -39.330 14.215 21.654 1.00 0.00 +ATOM 2079 CA LYS 137 -40.595 15.769 21.083 1.00 0.00 C +ATOM 2080 HA LYS 137 -41.536 15.843 21.413 1.00 0.00 +ATOM 2081 CB LYS 137 -39.713 16.747 21.882 1.00 0.00 C +ATOM 2082 HB1 LYS 137 -38.755 16.589 21.644 1.00 0.00 +ATOM 2083 HB2 LYS 137 -39.966 17.684 21.642 1.00 0.00 +ATOM 2084 CG LYS 137 -39.882 16.563 23.394 1.00 0.00 C +ATOM 2085 HG1 LYS 137 -40.832 16.766 23.629 1.00 0.00 +ATOM 2086 HG2 LYS 137 -39.680 15.609 23.617 1.00 0.00 +ATOM 2087 CD LYS 137 -38.978 17.455 24.248 1.00 0.00 C +ATOM 2088 HD1 LYS 137 -38.631 16.914 25.014 1.00 0.00 +ATOM 2089 HD2 LYS 137 -38.212 17.763 23.684 1.00 0.00 +ATOM 2090 CE LYS 137 -39.698 18.686 24.807 1.00 0.00 C +ATOM 2091 HE1 LYS 137 -40.194 19.153 24.075 1.00 0.00 +ATOM 2092 HE2 LYS 137 -40.341 18.410 25.522 1.00 0.00 +ATOM 2093 NZ LYS 137 -38.721 19.632 25.392 1.00 0.00 N +ATOM 2094 HZ1 LYS 137 -39.204 20.430 25.753 1.00 0.00 +ATOM 2095 HZ2 LYS 137 -38.223 19.181 26.133 1.00 0.00 +ATOM 2096 HZ3 LYS 137 -38.076 19.924 24.686 1.00 0.00 +ATOM 2097 C LYS 137 -40.505 16.062 19.617 1.00 0.00 C +ATOM 2098 O LYS 137 -41.003 17.082 19.145 1.00 0.00 O +ATOM 2099 N GLY 138 -39.811 15.189 18.860 1.00 0.00 N +ATOM 2100 HN GLY 138 -39.371 14.398 19.285 1.00 0.00 +ATOM 2101 CA GLY 138 -39.704 15.395 17.446 1.00 0.00 C +ATOM 2102 HA1 GLY 138 -39.957 14.546 16.981 1.00 0.00 +ATOM 2103 HA2 GLY 138 -40.338 16.122 17.182 1.00 0.00 +ATOM 2104 C GLY 138 -38.303 15.779 17.096 1.00 0.00 C +ATOM 2105 O GLY 138 -38.011 16.030 15.927 1.00 0.00 O +ATOM 2106 N TYR 139 -37.393 15.863 18.088 1.00 0.00 N +ATOM 2107 HN TYR 139 -37.652 15.687 19.038 1.00 0.00 +ATOM 2108 CA TYR 139 -36.042 16.212 17.747 1.00 0.00 C +ATOM 2109 HA TYR 139 -35.965 15.885 16.805 1.00 0.00 +ATOM 2110 CB TYR 139 -35.767 17.733 17.806 1.00 0.00 C +ATOM 2111 HB1 TYR 139 -34.802 17.908 17.612 1.00 0.00 +ATOM 2112 HB2 TYR 139 -36.334 18.204 17.130 1.00 0.00 +ATOM 2113 CG TYR 139 -36.084 18.294 19.156 1.00 0.00 C +ATOM 2114 CD1 TYR 139 -37.388 18.456 19.568 1.00 0.00 C +ATOM 2115 HD1 TYR 139 -38.136 18.187 18.961 1.00 0.00 +ATOM 2116 CE1 TYR 139 -37.673 18.985 20.807 1.00 0.00 C +ATOM 2117 HE1 TYR 139 -38.624 19.088 21.099 1.00 0.00 +ATOM 2118 CZ TYR 139 -36.654 19.371 21.643 1.00 0.00 C +ATOM 2119 OH TYR 139 -36.941 19.915 22.913 1.00 0.00 O +ATOM 2120 HH TYR 139 -36.086 20.138 23.381 1.00 0.00 +ATOM 2121 CD2 TYR 139 -35.072 18.698 19.996 1.00 0.00 C +ATOM 2122 HD2 TYR 139 -34.121 18.604 19.702 1.00 0.00 +ATOM 2123 CE2 TYR 139 -35.349 19.229 21.235 1.00 0.00 C +ATOM 2124 HE2 TYR 139 -34.602 19.511 21.837 1.00 0.00 +ATOM 2125 C TYR 139 -35.071 15.488 18.636 1.00 0.00 C +ATOM 2126 O TYR 139 -35.451 14.907 19.653 1.00 0.00 O +ATOM 2127 N GLY 140 -33.776 15.481 18.240 1.00 0.00 N +ATOM 2128 HN GLY 140 -33.521 15.942 17.390 1.00 0.00 +ATOM 2129 CA GLY 140 -32.758 14.824 19.018 1.00 0.00 C +ATOM 2130 HA1 GLY 140 -32.727 15.245 19.924 1.00 0.00 +ATOM 2131 HA2 GLY 140 -32.998 13.857 19.107 1.00 0.00 +ATOM 2132 C GLY 140 -31.431 14.971 18.328 1.00 0.00 C +ATOM 2133 O GLY 140 -31.336 15.580 17.264 1.00 0.00 O +ATOM 2134 N PHE 141 -30.358 14.419 18.941 1.00 0.00 N +ATOM 2135 HN PHE 141 -30.483 13.946 19.813 1.00 0.00 +ATOM 2136 CA PHE 141 -29.039 14.498 18.366 1.00 0.00 C +ATOM 2137 HA PHE 141 -29.215 14.682 17.399 1.00 0.00 +ATOM 2138 CB PHE 141 -28.170 15.614 18.978 1.00 0.00 C +ATOM 2139 HB1 PHE 141 -28.177 15.553 19.976 1.00 0.00 +ATOM 2140 HB2 PHE 141 -27.229 15.543 18.647 1.00 0.00 +ATOM 2141 CG PHE 141 -28.739 16.933 18.563 1.00 0.00 C +ATOM 2142 CD1 PHE 141 -29.741 17.530 19.295 1.00 0.00 C +ATOM 2143 HD1 PHE 141 -30.091 17.074 20.113 1.00 0.00 +ATOM 2144 CE1 PHE 141 -30.268 18.744 18.919 1.00 0.00 C +ATOM 2145 HE1 PHE 141 -30.994 19.165 19.462 1.00 0.00 +ATOM 2146 CZ PHE 141 -29.793 19.376 17.795 1.00 0.00 C +ATOM 2147 HZ PHE 141 -30.169 20.260 17.518 1.00 0.00 +ATOM 2148 CD2 PHE 141 -28.276 17.570 17.435 1.00 0.00 C +ATOM 2149 HD2 PHE 141 -27.554 17.147 16.888 1.00 0.00 +ATOM 2150 CE2 PHE 141 -28.798 18.784 17.054 1.00 0.00 C +ATOM 2151 HE2 PHE 141 -28.452 19.239 16.233 1.00 0.00 +ATOM 2152 C PHE 141 -28.332 13.192 18.594 1.00 0.00 C +ATOM 2153 O PHE 141 -28.662 12.447 19.517 1.00 0.00 O +ATOM 2154 N VAL 142 -27.340 12.869 17.735 1.00 0.00 N +ATOM 2155 HN VAL 142 -27.102 13.491 16.989 1.00 0.00 +ATOM 2156 CA VAL 142 -26.627 11.631 17.894 1.00 0.00 C +ATOM 2157 HA VAL 142 -26.896 11.293 18.796 1.00 0.00 +ATOM 2158 CB VAL 142 -26.990 10.616 16.852 1.00 0.00 C +ATOM 2159 HB VAL 142 -26.783 10.955 15.934 1.00 0.00 +ATOM 2160 CG1 VAL 142 -26.138 9.357 17.072 1.00 0.00 C +ATOM 2161 HG11 VAL 142 -26.371 8.672 16.382 1.00 0.00 +ATOM 2162 HG12 VAL 142 -25.169 9.592 16.994 1.00 0.00 +ATOM 2163 HG13 VAL 142 -26.319 8.987 17.983 1.00 0.00 +ATOM 2164 CG2 VAL 142 -28.507 10.367 16.926 1.00 0.00 C +ATOM 2165 HG21 VAL 142 -28.768 9.691 16.237 1.00 0.00 +ATOM 2166 HG22 VAL 142 -28.745 10.025 17.835 1.00 0.00 +ATOM 2167 HG23 VAL 142 -28.994 11.223 16.754 1.00 0.00 +ATOM 2168 C VAL 142 -25.158 11.901 17.780 1.00 0.00 C +ATOM 2169 O VAL 142 -24.726 12.739 16.990 1.00 0.00 O +ATOM 2170 N SER 143 -24.345 11.191 18.589 1.00 0.00 N +ATOM 2171 HN SER 143 -24.739 10.541 19.239 1.00 0.00 +ATOM 2172 CA SER 143 -22.921 11.358 18.528 1.00 0.00 C +ATOM 2173 HA SER 143 -22.801 12.181 17.973 1.00 0.00 +ATOM 2174 CB SER 143 -22.241 11.527 19.901 1.00 0.00 C +ATOM 2175 HB1 SER 143 -22.550 10.824 20.541 1.00 0.00 +ATOM 2176 HB2 SER 143 -21.246 11.484 19.814 1.00 0.00 +ATOM 2177 OG SER 143 -22.565 12.788 20.465 1.00 0.00 O +ATOM 2178 HG1 SER 143 -22.116 12.881 21.354 1.00 0.00 +ATOM 2179 C SER 143 -22.359 10.108 17.936 1.00 0.00 C +ATOM 2180 O SER 143 -22.541 9.016 18.473 1.00 0.00 O +ATOM 2181 N PHE 144 -21.650 10.242 16.799 1.00 0.00 N +ATOM 2182 HN PHE 144 -21.519 11.148 16.396 1.00 0.00 +ATOM 2183 CA PHE 144 -21.083 9.089 16.167 1.00 0.00 C +ATOM 2184 HA PHE 144 -21.576 8.332 16.596 1.00 0.00 +ATOM 2185 CB PHE 144 -21.282 9.044 14.640 1.00 0.00 C +ATOM 2186 HB1 PHE 144 -21.025 9.919 14.229 1.00 0.00 +ATOM 2187 HB2 PHE 144 -20.731 8.313 14.238 1.00 0.00 +ATOM 2188 CG PHE 144 -22.726 8.778 14.364 1.00 0.00 C +ATOM 2189 CD1 PHE 144 -23.195 7.483 14.330 1.00 0.00 C +ATOM 2190 HD1 PHE 144 -22.562 6.726 14.492 1.00 0.00 +ATOM 2191 CE1 PHE 144 -24.519 7.216 14.077 1.00 0.00 C +ATOM 2192 HE1 PHE 144 -24.845 6.271 14.054 1.00 0.00 +ATOM 2193 CZ PHE 144 -25.392 8.252 13.856 1.00 0.00 C +ATOM 2194 HZ PHE 144 -26.356 8.064 13.669 1.00 0.00 +ATOM 2195 CD2 PHE 144 -23.610 9.809 14.147 1.00 0.00 C +ATOM 2196 HD2 PHE 144 -23.286 10.755 14.175 1.00 0.00 +ATOM 2197 CE2 PHE 144 -24.936 9.549 13.892 1.00 0.00 C +ATOM 2198 HE2 PHE 144 -25.571 10.305 13.732 1.00 0.00 +ATOM 2199 C PHE 144 -19.615 9.059 16.451 1.00 0.00 C +ATOM 2200 O PHE 144 -18.996 10.091 16.698 1.00 0.00 O +ATOM 2201 N PHE 145 -19.050 7.835 16.488 1.00 0.00 N +ATOM 2202 HN PHE 145 -19.649 7.050 16.330 1.00 0.00 +ATOM 2203 CA PHE 145 -17.661 7.563 16.735 1.00 0.00 C +ATOM 2204 HA PHE 145 -17.445 8.131 17.530 1.00 0.00 +ATOM 2205 CB PHE 145 -17.405 6.068 17.012 1.00 0.00 C +ATOM 2206 HB1 PHE 145 -17.983 5.755 17.766 1.00 0.00 +ATOM 2207 HB2 PHE 145 -17.603 5.529 16.194 1.00 0.00 +ATOM 2208 CG PHE 145 -15.973 5.865 17.387 1.00 0.00 C +ATOM 2209 CD1 PHE 145 -15.532 6.231 18.637 1.00 0.00 C +ATOM 2210 HD1 PHE 145 -16.174 6.637 19.287 1.00 0.00 +ATOM 2211 CE1 PHE 145 -14.220 6.046 19.006 1.00 0.00 C +ATOM 2212 HE1 PHE 145 -13.912 6.324 19.916 1.00 0.00 +ATOM 2213 CZ PHE 145 -13.333 5.480 18.124 1.00 0.00 C +ATOM 2214 HZ PHE 145 -12.378 5.345 18.388 1.00 0.00 +ATOM 2215 CD2 PHE 145 -15.081 5.287 16.512 1.00 0.00 C +ATOM 2216 HD2 PHE 145 -15.390 5.001 15.605 1.00 0.00 +ATOM 2217 CE2 PHE 145 -13.767 5.100 16.876 1.00 0.00 C +ATOM 2218 HE2 PHE 145 -13.125 4.686 16.230 1.00 0.00 +ATOM 2219 C PHE 145 -16.842 7.961 15.550 1.00 0.00 C +ATOM 2220 O PHE 145 -15.713 8.424 15.702 1.00 0.00 O +ATOM 2221 N ASN 146 -17.379 7.759 14.330 1.00 0.00 N +ATOM 2222 HN ASN 146 -18.317 7.422 14.250 1.00 0.00 +ATOM 2223 CA ASN 146 -16.613 8.024 13.146 1.00 0.00 C +ATOM 2224 HA ASN 146 -15.784 8.487 13.459 1.00 0.00 +ATOM 2225 CB ASN 146 -16.282 6.718 12.399 1.00 0.00 C +ATOM 2226 HB1 ASN 146 -15.923 6.044 13.045 1.00 0.00 +ATOM 2227 HB2 ASN 146 -17.110 6.359 11.969 1.00 0.00 +ATOM 2228 CG ASN 146 -15.241 6.974 11.325 1.00 0.00 C +ATOM 2229 OD1 ASN 146 -14.044 6.802 11.547 1.00 0.00 O +ATOM 2230 ND2 ASN 146 -15.705 7.383 10.117 1.00 0.00 N +ATOM 2231 HD21 ASN 146 -16.687 7.501 9.972 1.00 0.00 +ATOM 2232 HD22 ASN 146 -15.064 7.567 9.371 1.00 0.00 +ATOM 2233 C ASN 146 -17.427 8.898 12.238 1.00 0.00 C +ATOM 2234 O ASN 146 -18.656 8.831 12.206 1.00 0.00 O +ATOM 2235 N LYS 147 -16.723 9.740 11.460 1.00 0.00 N +ATOM 2236 HN LYS 147 -15.725 9.677 11.484 1.00 0.00 +ATOM 2237 CA LYS 147 -17.313 10.721 10.599 1.00 0.00 C +ATOM 2238 HA LYS 147 -17.899 11.233 11.227 1.00 0.00 +ATOM 2239 CB LYS 147 -16.263 11.619 9.916 1.00 0.00 C +ATOM 2240 HB1 LYS 147 -15.644 11.965 10.621 1.00 0.00 +ATOM 2241 HB2 LYS 147 -15.749 11.058 9.267 1.00 0.00 +ATOM 2242 CG LYS 147 -16.835 12.824 9.153 1.00 0.00 C +ATOM 2243 HG1 LYS 147 -17.431 13.331 9.776 1.00 0.00 +ATOM 2244 HG2 LYS 147 -16.071 13.406 8.875 1.00 0.00 +ATOM 2245 CD LYS 147 -17.647 12.480 7.899 1.00 0.00 C +ATOM 2246 HD1 LYS 147 -17.060 11.968 7.272 1.00 0.00 +ATOM 2247 HD2 LYS 147 -18.422 11.909 8.170 1.00 0.00 +ATOM 2248 CE LYS 147 -18.187 13.707 7.161 1.00 0.00 C +ATOM 2249 HE1 LYS 147 -18.919 14.132 7.694 1.00 0.00 +ATOM 2250 HE2 LYS 147 -17.452 14.370 7.017 1.00 0.00 +ATOM 2251 NZ LYS 147 -18.732 13.312 5.843 1.00 0.00 N +ATOM 2252 HZ1 LYS 147 -19.081 14.121 5.371 1.00 0.00 +ATOM 2253 HZ2 LYS 147 -18.008 12.893 5.295 1.00 0.00 +ATOM 2254 HZ3 LYS 147 -19.475 12.655 5.973 1.00 0.00 +ATOM 2255 C LYS 147 -18.117 10.073 9.524 1.00 0.00 C +ATOM 2256 O LYS 147 -19.207 10.538 9.197 1.00 0.00 O +ATOM 2257 N TRP 148 -17.597 8.979 8.951 1.00 0.00 N +ATOM 2258 HN TRP 148 -16.728 8.628 9.301 1.00 0.00 +ATOM 2259 CA TRP 148 -18.221 8.285 7.863 1.00 0.00 C +ATOM 2260 HA TRP 148 -18.310 8.953 7.124 1.00 0.00 +ATOM 2261 CB TRP 148 -17.375 7.064 7.443 1.00 0.00 C +ATOM 2262 HB1 TRP 148 -16.501 7.399 7.090 1.00 0.00 +ATOM 2263 HB2 TRP 148 -17.213 6.504 8.256 1.00 0.00 +ATOM 2264 CG TRP 148 -17.964 6.155 6.386 1.00 0.00 C +ATOM 2265 CD1 TRP 148 -18.780 5.074 6.554 1.00 0.00 C +ATOM 2266 HD1 TRP 148 -19.133 4.754 7.434 1.00 0.00 +ATOM 2267 NE1 TRP 148 -19.047 4.488 5.340 1.00 0.00 N +ATOM 2268 HE1 TRP 148 -19.619 3.681 5.194 1.00 0.00 +ATOM 2269 CE2 TRP 148 -18.394 5.199 4.358 1.00 0.00 C +ATOM 2270 CD2 TRP 148 -17.709 6.248 4.973 1.00 0.00 C +ATOM 2271 CE3 TRP 148 -16.952 7.124 4.249 1.00 0.00 C +ATOM 2272 HE3 TRP 148 -16.448 7.866 4.691 1.00 0.00 +ATOM 2273 CZ3 TRP 148 -16.912 6.941 2.883 1.00 0.00 C +ATOM 2274 HZ3 TRP 148 -16.381 7.575 2.321 1.00 0.00 +ATOM 2275 CZ2 TRP 148 -18.333 5.009 3.007 1.00 0.00 C +ATOM 2276 HZ2 TRP 148 -18.811 4.249 2.567 1.00 0.00 +ATOM 2277 CH2 TRP 148 -17.587 5.905 2.273 1.00 0.00 C +ATOM 2278 HH2 TRP 148 -17.534 5.802 1.280 1.00 0.00 +ATOM 2279 C TRP 148 -19.555 7.796 8.319 1.00 0.00 C +ATOM 2280 O TRP 148 -20.546 7.883 7.595 1.00 0.00 O +ATOM 2281 N ASP 149 -19.608 7.286 9.560 1.00 0.00 N +ATOM 2282 HN ASP 149 -18.788 7.326 10.131 1.00 0.00 +ATOM 2283 CA ASP 149 -20.793 6.687 10.097 1.00 0.00 C +ATOM 2284 HA ASP 149 -20.995 5.948 9.454 1.00 0.00 +ATOM 2285 CB ASP 149 -20.572 6.166 11.532 1.00 0.00 C +ATOM 2286 HB1 ASP 149 -20.289 6.922 12.123 1.00 0.00 +ATOM 2287 HB2 ASP 149 -21.422 5.771 11.880 1.00 0.00 +ATOM 2288 CG ASP 149 -19.481 5.092 11.529 1.00 0.00 C +ATOM 2289 OD1 ASP 149 -18.619 5.102 10.609 1.00 0.00 O +ATOM 2290 OD2 ASP 149 -19.494 4.243 12.459 1.00 0.00 O +ATOM 2291 C ASP 149 -21.900 7.701 10.149 1.00 0.00 C +ATOM 2292 O ASP 149 -23.036 7.404 9.780 1.00 0.00 O +ATOM 2293 N ALA 150 -21.600 8.927 10.619 1.00 0.00 N +ATOM 2294 HN ALA 150 -20.657 9.130 10.883 1.00 0.00 +ATOM 2295 CA ALA 150 -22.601 9.951 10.751 1.00 0.00 C +ATOM 2296 HA ALA 150 -23.302 9.518 11.318 1.00 0.00 +ATOM 2297 CB ALA 150 -22.053 11.233 11.401 1.00 0.00 C +ATOM 2298 HB1 ALA 150 -22.785 11.911 11.470 1.00 0.00 +ATOM 2299 HB2 ALA 150 -21.707 11.022 12.315 1.00 0.00 +ATOM 2300 HB3 ALA 150 -21.310 11.600 10.840 1.00 0.00 +ATOM 2301 C ALA 150 -23.119 10.329 9.400 1.00 0.00 C +ATOM 2302 O ALA 150 -24.325 10.454 9.195 1.00 0.00 O +ATOM 2303 N GLU 151 -22.199 10.496 8.435 1.00 0.00 N +ATOM 2304 HN GLU 151 -21.243 10.315 8.665 1.00 0.00 +ATOM 2305 CA GLU 151 -22.499 10.917 7.096 1.00 0.00 C +ATOM 2306 HA GLU 151 -22.933 11.814 7.180 1.00 0.00 +ATOM 2307 CB GLU 151 -21.210 10.921 6.261 1.00 0.00 C +ATOM 2308 HB1 GLU 151 -20.586 11.589 6.666 1.00 0.00 +ATOM 2309 HB2 GLU 151 -20.805 10.008 6.319 1.00 0.00 +ATOM 2310 CG GLU 151 -21.355 11.266 4.780 1.00 0.00 C +ATOM 2311 HG1 GLU 151 -22.106 10.746 4.373 1.00 0.00 +ATOM 2312 HG2 GLU 151 -21.526 12.245 4.665 1.00 0.00 +ATOM 2313 CD GLU 151 -20.031 10.880 4.130 1.00 0.00 C +ATOM 2314 OE1 GLU 151 -19.166 10.321 4.855 1.00 0.00 O +ATOM 2315 OE2 GLU 151 -19.864 11.128 2.907 1.00 0.00 O +ATOM 2316 C GLU 151 -23.400 9.910 6.459 1.00 0.00 C +ATOM 2317 O GLU 151 -24.414 10.253 5.851 1.00 0.00 O +ATOM 2318 N ASN 152 -23.037 8.626 6.604 1.00 0.00 N +ATOM 2319 HN ASN 152 -22.230 8.413 7.154 1.00 0.00 +ATOM 2320 CA ASN 152 -23.762 7.552 6.001 1.00 0.00 C +ATOM 2321 HA ASN 152 -23.776 7.763 5.024 1.00 0.00 +ATOM 2322 CB ASN 152 -23.087 6.191 6.268 1.00 0.00 C +ATOM 2323 HB1 ASN 152 -22.117 6.240 6.029 1.00 0.00 +ATOM 2324 HB2 ASN 152 -23.180 5.949 7.234 1.00 0.00 +ATOM 2325 CG ASN 152 -23.763 5.128 5.415 1.00 0.00 C +ATOM 2326 OD1 ASN 152 -24.934 4.806 5.611 1.00 0.00 O +ATOM 2327 ND2 ASN 152 -23.006 4.572 4.432 1.00 0.00 N +ATOM 2328 HD21 ASN 152 -22.059 4.867 4.302 1.00 0.00 +ATOM 2329 HD22 ASN 152 -23.396 3.868 3.839 1.00 0.00 +ATOM 2330 C ASN 152 -25.141 7.526 6.582 1.00 0.00 C +ATOM 2331 O ASN 152 -26.126 7.358 5.864 1.00 0.00 O +ATOM 2332 N ALA 153 -25.241 7.717 7.909 1.00 0.00 N +ATOM 2333 HN ALA 153 -24.409 7.893 8.436 1.00 0.00 +ATOM 2334 CA ALA 153 -26.500 7.677 8.595 1.00 0.00 C +ATOM 2335 HA ALA 153 -26.851 6.770 8.361 1.00 0.00 +ATOM 2336 CB ALA 153 -26.360 7.855 10.114 1.00 0.00 C +ATOM 2337 HB1 ALA 153 -27.265 7.819 10.539 1.00 0.00 +ATOM 2338 HB2 ALA 153 -25.788 7.123 10.484 1.00 0.00 +ATOM 2339 HB3 ALA 153 -25.936 8.739 10.308 1.00 0.00 +ATOM 2340 C ALA 153 -27.388 8.777 8.102 1.00 0.00 C +ATOM 2341 O ALA 153 -28.587 8.569 7.930 1.00 0.00 O +ATOM 2342 N ILE 154 -26.833 9.980 7.860 1.00 0.00 N +ATOM 2343 HN ILE 154 -25.849 10.111 7.983 1.00 0.00 +ATOM 2344 CA ILE 154 -27.657 11.076 7.424 1.00 0.00 C +ATOM 2345 HA ILE 154 -28.306 11.197 8.175 1.00 0.00 +ATOM 2346 CB ILE 154 -26.901 12.365 7.197 1.00 0.00 C +ATOM 2347 HB ILE 154 -26.068 12.171 6.679 1.00 0.00 +ATOM 2348 CG2 ILE 154 -27.779 13.310 6.357 1.00 0.00 C +ATOM 2349 HG21 ILE 154 -27.290 14.168 6.200 1.00 0.00 +ATOM 2350 HG22 ILE 154 -27.987 12.879 5.479 1.00 0.00 +ATOM 2351 HG23 ILE 154 -28.631 13.497 6.847 1.00 0.00 +ATOM 2352 CG1 ILE 154 -26.420 12.977 8.527 1.00 0.00 C +ATOM 2353 HG11 ILE 154 -27.220 13.266 9.053 1.00 0.00 +ATOM 2354 HG12 ILE 154 -25.921 12.277 9.038 1.00 0.00 +ATOM 2355 CD ILE 154 -25.501 14.187 8.345 1.00 0.00 C +ATOM 2356 HD1 ILE 154 -25.226 14.535 9.241 1.00 0.00 +ATOM 2357 HD2 ILE 154 -24.688 13.914 7.830 1.00 0.00 +ATOM 2358 HD3 ILE 154 -25.988 14.903 7.845 1.00 0.00 +ATOM 2359 C ILE 154 -28.291 10.707 6.119 1.00 0.00 C +ATOM 2360 O ILE 154 -29.476 10.953 5.901 1.00 0.00 O +ATOM 2361 N GLN 155 -27.508 10.120 5.204 1.00 0.00 N +ATOM 2362 HN GLN 155 -26.561 9.896 5.434 1.00 0.00 +ATOM 2363 CA GLN 155 -28.014 9.810 3.900 1.00 0.00 C +ATOM 2364 HA GLN 155 -28.432 10.666 3.595 1.00 0.00 +ATOM 2365 CB GLN 155 -26.879 9.351 2.976 1.00 0.00 C +ATOM 2366 HB1 GLN 155 -26.445 8.540 3.369 1.00 0.00 +ATOM 2367 HB2 GLN 155 -27.259 9.124 2.079 1.00 0.00 +ATOM 2368 CG GLN 155 -25.824 10.444 2.805 1.00 0.00 C +ATOM 2369 HG1 GLN 155 -26.209 11.211 2.292 1.00 0.00 +ATOM 2370 HG2 GLN 155 -25.517 10.764 3.702 1.00 0.00 +ATOM 2371 CD GLN 155 -24.648 9.864 2.044 1.00 0.00 C +ATOM 2372 OE1 GLN 155 -23.964 10.579 1.315 1.00 0.00 O +ATOM 2373 NE2 GLN 155 -24.390 8.541 2.221 1.00 0.00 N +ATOM 2374 HE21 GLN 155 -24.965 7.997 2.831 1.00 0.00 +ATOM 2375 HE22 GLN 155 -23.625 8.112 1.741 1.00 0.00 +ATOM 2376 C GLN 155 -29.054 8.727 3.959 1.00 0.00 C +ATOM 2377 O GLN 155 -30.137 8.864 3.392 1.00 0.00 O +ATOM 2378 N GLN 156 -28.757 7.632 4.685 1.00 0.00 N +ATOM 2379 HN GLN 156 -27.907 7.606 5.211 1.00 0.00 +ATOM 2380 CA GLN 156 -29.642 6.503 4.715 1.00 0.00 C +ATOM 2381 HA GLN 156 -29.793 6.276 3.753 1.00 0.00 +ATOM 2382 CB GLN 156 -29.023 5.321 5.474 1.00 0.00 C +ATOM 2383 HB1 GLN 156 -28.879 5.588 6.427 1.00 0.00 +ATOM 2384 HB2 GLN 156 -29.654 4.546 5.436 1.00 0.00 +ATOM 2385 CG GLN 156 -27.679 4.896 4.870 1.00 0.00 C +ATOM 2386 HG1 GLN 156 -27.035 5.661 4.903 1.00 0.00 +ATOM 2387 HG2 GLN 156 -27.306 4.124 5.384 1.00 0.00 +ATOM 2388 CD GLN 156 -27.904 4.483 3.422 1.00 0.00 C +ATOM 2389 OE1 GLN 156 -28.299 5.293 2.584 1.00 0.00 O +ATOM 2390 NE2 GLN 156 -27.650 3.181 3.116 1.00 0.00 N +ATOM 2391 HE21 GLN 156 -27.333 2.553 3.827 1.00 0.00 +ATOM 2392 HE22 GLN 156 -27.780 2.853 2.180 1.00 0.00 +ATOM 2393 C GLN 156 -30.927 6.885 5.379 1.00 0.00 C +ATOM 2394 O GLN 156 -32.008 6.532 4.914 1.00 0.00 O +ATOM 2395 N MET 157 -30.815 7.609 6.502 1.00 0.00 N +ATOM 2396 HN MET 157 -29.888 7.826 6.808 1.00 0.00 +ATOM 2397 CA MET 157 -31.895 8.102 7.307 1.00 0.00 C +ATOM 2398 HA MET 157 -32.510 7.314 7.282 1.00 0.00 +ATOM 2399 CB MET 157 -31.514 8.423 8.761 1.00 0.00 C +ATOM 2400 HB1 MET 157 -30.683 8.979 8.769 1.00 0.00 +ATOM 2401 HB2 MET 157 -32.259 8.931 9.193 1.00 0.00 +ATOM 2402 CG MET 157 -31.262 7.138 9.551 1.00 0.00 C +ATOM 2403 HG1 MET 157 -30.417 6.769 9.164 1.00 0.00 +ATOM 2404 HG2 MET 157 -31.092 7.449 10.486 1.00 0.00 +ATOM 2405 SD MET 157 -32.639 5.946 9.461 1.00 0.00 S +ATOM 2406 CE MET 157 -33.700 6.645 10.759 1.00 0.00 C +ATOM 2407 HE1 MET 157 -34.529 6.093 10.845 1.00 0.00 +ATOM 2408 HE2 MET 157 -33.207 6.644 11.629 1.00 0.00 +ATOM 2409 HE3 MET 157 -33.948 7.583 10.518 1.00 0.00 +ATOM 2410 C MET 157 -32.569 9.282 6.690 1.00 0.00 C +ATOM 2411 O MET 157 -33.590 9.723 7.208 1.00 0.00 O +ATOM 2412 N GLY 158 -31.966 9.916 5.668 1.00 0.00 N +ATOM 2413 HN GLY 158 -31.100 9.576 5.302 1.00 0.00 +ATOM 2414 CA GLY 158 -32.582 11.089 5.108 1.00 0.00 C +ATOM 2415 HA1 GLY 158 -32.583 11.808 5.803 1.00 0.00 +ATOM 2416 HA2 GLY 158 -32.040 11.386 4.322 1.00 0.00 +ATOM 2417 C GLY 158 -33.986 10.780 4.681 1.00 0.00 C +ATOM 2418 O GLY 158 -34.218 10.265 3.589 1.00 0.00 O +ATOM 2419 N GLY 159 -34.966 11.163 5.528 1.00 0.00 N +ATOM 2420 HN GLY 159 -34.707 11.594 6.392 1.00 0.00 +ATOM 2421 CA GLY 159 -36.359 10.980 5.246 1.00 0.00 C +ATOM 2422 HA1 GLY 159 -36.888 11.427 5.968 1.00 0.00 +ATOM 2423 HA2 GLY 159 -36.562 11.413 4.368 1.00 0.00 +ATOM 2424 C GLY 159 -36.691 9.522 5.191 1.00 0.00 C +ATOM 2425 O GLY 159 -37.419 9.083 4.302 1.00 0.00 O +ATOM 2426 N GLN 160 -36.163 8.735 6.146 1.00 0.00 N +ATOM 2427 HN GLN 160 -35.577 9.151 6.842 1.00 0.00 +ATOM 2428 CA GLN 160 -36.407 7.325 6.205 1.00 0.00 C +ATOM 2429 HA GLN 160 -36.541 7.037 5.257 1.00 0.00 +ATOM 2430 CB GLN 160 -35.245 6.559 6.860 1.00 0.00 C +ATOM 2431 HB1 GLN 160 -34.413 6.728 6.332 1.00 0.00 +ATOM 2432 HB2 GLN 160 -35.123 6.899 7.792 1.00 0.00 +ATOM 2433 CG GLN 160 -35.472 5.052 6.926 1.00 0.00 C +ATOM 2434 HG1 GLN 160 -34.809 4.627 7.543 1.00 0.00 +ATOM 2435 HG2 GLN 160 -36.399 4.853 7.244 1.00 0.00 +ATOM 2436 CD GLN 160 -35.281 4.532 5.514 1.00 0.00 C +ATOM 2437 OE1 GLN 160 -34.608 5.166 4.704 1.00 0.00 O +ATOM 2438 NE2 GLN 160 -35.896 3.361 5.200 1.00 0.00 N +ATOM 2439 HE21 GLN 160 -36.444 2.884 5.887 1.00 0.00 +ATOM 2440 HE22 GLN 160 -35.801 2.977 4.282 1.00 0.00 +ATOM 2441 C GLN 160 -37.606 7.125 7.069 1.00 0.00 C +ATOM 2442 O GLN 160 -37.908 7.952 7.928 1.00 0.00 O +ATOM 2443 N TRP 161 -38.329 6.007 6.864 1.00 0.00 N +ATOM 2444 HN TRP 161 -38.043 5.329 6.187 1.00 0.00 +ATOM 2445 CA TRP 161 -39.515 5.814 7.637 1.00 0.00 C +ATOM 2446 HA TRP 161 -39.894 6.733 7.748 1.00 0.00 +ATOM 2447 CB TRP 161 -40.532 4.894 6.942 1.00 0.00 C +ATOM 2448 HB1 TRP 161 -40.069 4.058 6.648 1.00 0.00 +ATOM 2449 HB2 TRP 161 -41.259 4.663 7.588 1.00 0.00 +ATOM 2450 CG TRP 161 -41.161 5.539 5.731 1.00 0.00 C +ATOM 2451 CD1 TRP 161 -40.752 5.548 4.430 1.00 0.00 C +ATOM 2452 HD1 TRP 161 -39.933 5.092 4.082 1.00 0.00 +ATOM 2453 NE1 TRP 161 -41.634 6.277 3.667 1.00 0.00 N +ATOM 2454 HE1 TRP 161 -41.562 6.437 2.683 1.00 0.00 +ATOM 2455 CE2 TRP 161 -42.635 6.750 4.490 1.00 0.00 C +ATOM 2456 CD2 TRP 161 -42.369 6.309 5.785 1.00 0.00 C +ATOM 2457 CE3 TRP 161 -43.187 6.626 6.831 1.00 0.00 C +ATOM 2458 HE3 TRP 161 -42.990 6.313 7.760 1.00 0.00 +ATOM 2459 CZ3 TRP 161 -44.294 7.395 6.552 1.00 0.00 C +ATOM 2460 HZ3 TRP 161 -44.919 7.641 7.293 1.00 0.00 +ATOM 2461 CZ2 TRP 161 -43.728 7.521 4.217 1.00 0.00 C +ATOM 2462 HZ2 TRP 161 -43.918 7.846 3.290 1.00 0.00 +ATOM 2463 CH2 TRP 161 -44.558 7.833 5.270 1.00 0.00 C +ATOM 2464 HH2 TRP 161 -45.371 8.390 5.102 1.00 0.00 +ATOM 2465 C TRP 161 -39.133 5.205 8.943 1.00 0.00 C +ATOM 2466 O TRP 161 -38.948 3.995 9.057 1.00 0.00 O +ATOM 2467 N LEU 162 -38.993 6.057 9.974 1.00 0.00 N +ATOM 2468 HN LEU 162 -39.081 7.041 9.816 1.00 0.00 +ATOM 2469 CA LEU 162 -38.720 5.576 11.292 1.00 0.00 C +ATOM 2470 HA LEU 162 -38.543 4.596 11.202 1.00 0.00 +ATOM 2471 CB LEU 162 -37.505 6.254 11.962 1.00 0.00 C +ATOM 2472 HB1 LEU 162 -36.700 6.093 11.391 1.00 0.00 +ATOM 2473 HB2 LEU 162 -37.684 7.236 12.018 1.00 0.00 +ATOM 2474 CG LEU 162 -37.204 5.733 13.384 1.00 0.00 C +ATOM 2475 HG LEU 162 -38.022 5.865 13.943 1.00 0.00 +ATOM 2476 CD1 LEU 162 -36.915 4.225 13.365 1.00 0.00 C +ATOM 2477 HD11 LEU 162 -36.723 3.911 14.295 1.00 0.00 +ATOM 2478 HD12 LEU 162 -37.711 3.738 13.006 1.00 0.00 +ATOM 2479 HD13 LEU 162 -36.123 4.045 12.782 1.00 0.00 +ATOM 2480 CD2 LEU 162 -36.083 6.541 14.067 1.00 0.00 C +ATOM 2481 HD21 LEU 162 -35.918 6.174 14.983 1.00 0.00 +ATOM 2482 HD22 LEU 162 -35.245 6.473 13.525 1.00 0.00 +ATOM 2483 HD23 LEU 162 -36.358 7.500 14.137 1.00 0.00 +ATOM 2484 C LEU 162 -39.933 5.916 12.077 1.00 0.00 C +ATOM 2485 O LEU 162 -40.231 7.090 12.296 1.00 0.00 O +ATOM 2486 N GLY 163 -40.660 4.887 12.541 1.00 0.00 N +ATOM 2487 HN GLY 163 -40.346 3.946 12.414 1.00 0.00 +ATOM 2488 CA GLY 163 -41.889 5.155 13.218 1.00 0.00 C +ATOM 2489 HA1 GLY 163 -42.086 4.406 13.850 1.00 0.00 +ATOM 2490 HA2 GLY 163 -41.803 6.009 13.730 1.00 0.00 +ATOM 2491 C GLY 163 -42.951 5.265 12.173 1.00 0.00 C +ATOM 2492 O GLY 163 -42.835 4.716 11.078 1.00 0.00 O +ATOM 2493 N GLY 164 -44.034 5.979 12.519 1.00 0.00 N +ATOM 2494 HN GLY 164 -44.056 6.408 13.422 1.00 0.00 +ATOM 2495 CA GLY 164 -45.158 6.152 11.652 1.00 0.00 C +ATOM 2496 HA1 GLY 164 -45.502 5.249 11.395 1.00 0.00 +ATOM 2497 HA2 GLY 164 -45.868 6.650 12.149 1.00 0.00 +ATOM 2498 C GLY 164 -44.746 6.914 10.436 1.00 0.00 C +ATOM 2499 O GLY 164 -45.264 6.666 9.349 1.00 0.00 O +ATOM 2500 N ARG 165 -43.826 7.886 10.577 1.00 0.00 N +ATOM 2501 HN ARG 165 -43.370 8.048 11.452 1.00 0.00 +ATOM 2502 CA ARG 165 -43.527 8.678 9.423 1.00 0.00 C +ATOM 2503 HA ARG 165 -43.900 8.122 8.680 1.00 0.00 +ATOM 2504 CB ARG 165 -44.186 10.061 9.472 1.00 0.00 C +ATOM 2505 HB1 ARG 165 -43.898 10.582 8.668 1.00 0.00 +ATOM 2506 HB2 ARG 165 -45.179 9.944 9.456 1.00 0.00 +ATOM 2507 CG ARG 165 -43.811 10.852 10.723 1.00 0.00 C +ATOM 2508 HG1 ARG 165 -44.241 10.420 11.516 1.00 0.00 +ATOM 2509 HG2 ARG 165 -42.817 10.830 10.830 1.00 0.00 +ATOM 2510 CD ARG 165 -44.261 12.306 10.658 1.00 0.00 C +ATOM 2511 HD1 ARG 165 -45.254 12.367 10.553 1.00 0.00 +ATOM 2512 HD2 ARG 165 -43.982 12.802 11.480 1.00 0.00 +ATOM 2513 NE ARG 165 -43.588 12.883 9.464 1.00 0.00 N +ATOM 2514 HE ARG 165 -43.181 12.273 8.784 1.00 0.00 +ATOM 2515 CZ ARG 165 -43.519 14.231 9.285 1.00 0.00 C +ATOM 2516 NH1 ARG 165 -44.074 15.078 10.201 1.00 0.00 N +ATOM 2517 HH11 ARG 165 -44.534 14.709 11.009 1.00 0.00 +ATOM 2518 HH12 ARG 165 -44.020 16.067 10.064 1.00 0.00 +ATOM 2519 NH2 ARG 165 -42.883 14.730 8.187 1.00 0.00 N +ATOM 2520 HH21 ARG 165 -42.472 14.107 7.521 1.00 0.00 +ATOM 2521 HH22 ARG 165 -42.828 15.719 8.048 1.00 0.00 +ATOM 2522 C ARG 165 -42.055 8.853 9.244 1.00 0.00 C +ATOM 2523 O ARG 165 -41.242 8.405 10.052 1.00 0.00 O +ATOM 2524 N GLN 166 -41.683 9.500 8.120 1.00 0.00 N +ATOM 2525 HN GLN 166 -42.391 9.830 7.496 1.00 0.00 +ATOM 2526 CA GLN 166 -40.308 9.730 7.790 1.00 0.00 C +ATOM 2527 HA GLN 166 -39.856 8.850 7.938 1.00 0.00 +ATOM 2528 CB GLN 166 -40.109 10.191 6.337 1.00 0.00 C +ATOM 2529 HB1 GLN 166 -40.581 11.064 6.214 1.00 0.00 +ATOM 2530 HB2 GLN 166 -39.130 10.316 6.175 1.00 0.00 +ATOM 2531 CG GLN 166 -40.648 9.200 5.298 1.00 0.00 C +ATOM 2532 HG1 GLN 166 -40.166 8.328 5.377 1.00 0.00 +ATOM 2533 HG2 GLN 166 -41.627 9.054 5.442 1.00 0.00 +ATOM 2534 CD GLN 166 -40.415 9.792 3.912 1.00 0.00 C +ATOM 2535 OE1 GLN 166 -40.727 9.174 2.895 1.00 0.00 O +ATOM 2536 NE2 GLN 166 -39.856 11.029 3.869 1.00 0.00 N +ATOM 2537 HE21 GLN 166 -39.621 11.501 4.719 1.00 0.00 +ATOM 2538 HE22 GLN 166 -39.680 11.468 2.988 1.00 0.00 +ATOM 2539 C GLN 166 -39.807 10.814 8.692 1.00 0.00 C +ATOM 2540 O GLN 166 -40.537 11.740 9.042 1.00 0.00 O +ATOM 2541 N ILE 167 -38.520 10.724 9.075 1.00 0.00 N +ATOM 2542 HN ILE 167 -37.954 9.978 8.724 1.00 0.00 +ATOM 2543 CA ILE 167 -37.945 11.678 9.977 1.00 0.00 C +ATOM 2544 HA ILE 167 -38.710 12.244 10.283 1.00 0.00 +ATOM 2545 CB ILE 167 -37.307 11.064 11.189 1.00 0.00 C +ATOM 2546 HB ILE 167 -36.927 11.780 11.775 1.00 0.00 +ATOM 2547 CG2 ILE 167 -38.403 10.309 11.960 1.00 0.00 C +ATOM 2548 HG21 ILE 167 -38.007 9.888 12.776 1.00 0.00 +ATOM 2549 HG22 ILE 167 -39.121 10.950 12.231 1.00 0.00 +ATOM 2550 HG23 ILE 167 -38.794 9.599 11.374 1.00 0.00 +ATOM 2551 CG1 ILE 167 -36.119 10.175 10.788 1.00 0.00 C +ATOM 2552 HG11 ILE 167 -36.473 9.347 10.353 1.00 0.00 +ATOM 2553 HG12 ILE 167 -35.551 10.677 10.136 1.00 0.00 +ATOM 2554 CD ILE 167 -35.242 9.760 11.969 1.00 0.00 C +ATOM 2555 HD1 ILE 167 -34.491 9.186 11.641 1.00 0.00 +ATOM 2556 HD2 ILE 167 -34.869 10.576 12.411 1.00 0.00 +ATOM 2557 HD3 ILE 167 -35.791 9.246 12.628 1.00 0.00 +ATOM 2558 C ILE 167 -36.894 12.422 9.221 1.00 0.00 C +ATOM 2559 O ILE 167 -36.501 12.023 8.126 1.00 0.00 O +ATOM 2560 N ARG 168 -36.454 13.569 9.769 1.00 0.00 N +ATOM 2561 HN ARG 168 -36.791 13.853 10.666 1.00 0.00 +ATOM 2562 CA ARG 168 -35.506 14.384 9.074 1.00 0.00 C +ATOM 2563 HA ARG 168 -35.457 13.940 8.179 1.00 0.00 +ATOM 2564 CB ARG 168 -35.940 15.853 8.939 1.00 0.00 C +ATOM 2565 HB1 ARG 168 -36.805 15.879 8.438 1.00 0.00 +ATOM 2566 HB2 ARG 168 -36.076 16.225 9.857 1.00 0.00 +ATOM 2567 CG ARG 168 -34.948 16.756 8.209 1.00 0.00 C +ATOM 2568 HG1 ARG 168 -34.131 16.857 8.777 1.00 0.00 +ATOM 2569 HG2 ARG 168 -34.700 16.322 7.343 1.00 0.00 +ATOM 2570 CD ARG 168 -35.512 18.146 7.914 1.00 0.00 C +ATOM 2571 HD1 ARG 168 -34.819 18.848 8.080 1.00 0.00 +ATOM 2572 HD2 ARG 168 -35.824 18.203 6.965 1.00 0.00 +ATOM 2573 NE ARG 168 -36.667 18.360 8.831 1.00 0.00 N +ATOM 2574 HE ARG 168 -37.597 18.198 8.501 1.00 0.00 +ATOM 2575 CZ ARG 168 -36.471 18.774 10.115 1.00 0.00 C +ATOM 2576 NH1 ARG 168 -35.204 18.981 10.579 1.00 0.00 N +ATOM 2577 HH11 ARG 168 -34.420 18.829 9.977 1.00 0.00 +ATOM 2578 HH12 ARG 168 -35.060 19.285 11.521 1.00 0.00 +ATOM 2579 NH2 ARG 168 -37.546 18.964 10.934 1.00 0.00 N +ATOM 2580 HH21 ARG 168 -38.471 18.800 10.591 1.00 0.00 +ATOM 2581 HH22 ARG 168 -37.409 19.268 11.877 1.00 0.00 +ATOM 2582 C ARG 168 -34.193 14.355 9.775 1.00 0.00 C +ATOM 2583 O ARG 168 -34.115 14.151 10.986 1.00 0.00 O +ATOM 2584 N THR 169 -33.112 14.514 8.985 1.00 0.00 N +ATOM 2585 HN THR 169 -33.232 14.602 7.996 1.00 0.00 +ATOM 2586 CA THR 169 -31.797 14.559 9.542 1.00 0.00 C +ATOM 2587 HA THR 169 -31.957 14.662 10.524 1.00 0.00 +ATOM 2588 CB THR 169 -30.995 13.305 9.336 1.00 0.00 C +ATOM 2589 HB THR 169 -30.053 13.437 9.645 1.00 0.00 +ATOM 2590 OG1 THR 169 -30.856 13.020 7.954 1.00 0.00 O +ATOM 2591 HG1 THR 169 -30.320 12.184 7.838 1.00 0.00 +ATOM 2592 CG2 THR 169 -31.698 12.145 10.064 1.00 0.00 C +ATOM 2593 HG21 THR 169 -31.174 11.303 9.934 1.00 0.00 +ATOM 2594 HG22 THR 169 -31.759 12.353 11.040 1.00 0.00 +ATOM 2595 HG23 THR 169 -32.618 12.025 9.690 1.00 0.00 +ATOM 2596 C THR 169 -31.061 15.714 8.937 1.00 0.00 C +ATOM 2597 O THR 169 -31.371 16.180 7.841 1.00 0.00 O +ATOM 2598 N ASN 170 -30.092 16.246 9.703 1.00 0.00 N +ATOM 2599 HN ASN 170 -29.947 15.871 10.618 1.00 0.00 +ATOM 2600 CA ASN 170 -29.257 17.327 9.267 1.00 0.00 C +ATOM 2601 HA ASN 170 -29.096 17.189 8.290 1.00 0.00 +ATOM 2602 CB ASN 170 -29.890 18.716 9.472 1.00 0.00 C +ATOM 2603 HB1 ASN 170 -30.854 18.691 9.207 1.00 0.00 +ATOM 2604 HB2 ASN 170 -29.815 18.984 10.433 1.00 0.00 +ATOM 2605 CG ASN 170 -29.151 19.730 8.604 1.00 0.00 C +ATOM 2606 OD1 ASN 170 -27.943 19.917 8.731 1.00 0.00 O +ATOM 2607 ND2 ASN 170 -29.896 20.400 7.684 1.00 0.00 N +ATOM 2608 HD21 ASN 170 -30.876 20.216 7.604 1.00 0.00 +ATOM 2609 HD22 ASN 170 -29.464 21.077 7.088 1.00 0.00 +ATOM 2610 C ASN 170 -28.036 17.230 10.125 1.00 0.00 C +ATOM 2611 O ASN 170 -28.100 16.752 11.255 1.00 0.00 O +ATOM 2612 N TRP 171 -26.883 17.685 9.609 1.00 0.00 N +ATOM 2613 HN TRP 171 -26.896 18.119 8.708 1.00 0.00 +ATOM 2614 CA TRP 171 -25.631 17.571 10.306 1.00 0.00 C +ATOM 2615 HA TRP 171 -25.732 16.763 10.887 1.00 0.00 +ATOM 2616 CB TRP 171 -24.485 17.436 9.290 1.00 0.00 C +ATOM 2617 HB1 TRP 171 -23.611 17.533 9.766 1.00 0.00 +ATOM 2618 HB2 TRP 171 -24.532 16.534 8.860 1.00 0.00 +ATOM 2619 CG TRP 171 -24.560 18.489 8.205 1.00 0.00 C +ATOM 2620 CD1 TRP 171 -23.897 19.678 8.102 1.00 0.00 C +ATOM 2621 HD1 TRP 171 -23.224 20.018 8.759 1.00 0.00 +ATOM 2622 NE1 TRP 171 -24.291 20.338 6.963 1.00 0.00 N +ATOM 2623 HE1 TRP 171 -23.954 21.230 6.661 1.00 0.00 +ATOM 2624 CE2 TRP 171 -25.227 19.570 6.305 1.00 0.00 C +ATOM 2625 CD2 TRP 171 -25.420 18.405 7.051 1.00 0.00 C +ATOM 2626 CE3 TRP 171 -26.295 17.438 6.644 1.00 0.00 C +ATOM 2627 HE3 TRP 171 -26.429 16.603 7.177 1.00 0.00 +ATOM 2628 CZ3 TRP 171 -26.987 17.656 5.470 1.00 0.00 C +ATOM 2629 HZ3 TRP 171 -27.638 16.968 5.148 1.00 0.00 +ATOM 2630 CZ2 TRP 171 -25.911 19.779 5.141 1.00 0.00 C +ATOM 2631 HZ2 TRP 171 -25.773 20.611 4.603 1.00 0.00 +ATOM 2632 CH2 TRP 171 -26.796 18.807 4.733 1.00 0.00 C +ATOM 2633 HH2 TRP 171 -27.311 18.937 3.886 1.00 0.00 +ATOM 2634 C TRP 171 -25.375 18.788 11.159 1.00 0.00 C +ATOM 2635 O TRP 171 -25.334 19.910 10.658 1.00 0.00 O +ATOM 2636 N ALA 172 -25.292 18.594 12.499 1.00 0.00 N +ATOM 2637 HN ALA 172 -25.443 17.673 12.858 1.00 0.00 +ATOM 2638 CA ALA 172 -24.995 19.657 13.430 1.00 0.00 C +ATOM 2639 HA ALA 172 -25.565 20.392 13.062 1.00 0.00 +ATOM 2640 CB ALA 172 -25.359 19.286 14.876 1.00 0.00 C +ATOM 2641 HB1 ALA 172 -25.136 20.050 15.482 1.00 0.00 +ATOM 2642 HB2 ALA 172 -26.338 19.089 14.933 1.00 0.00 +ATOM 2643 HB3 ALA 172 -24.840 18.478 15.154 1.00 0.00 +ATOM 2644 C ALA 172 -23.544 20.072 13.425 1.00 0.00 C +ATOM 2645 O ALA 172 -23.221 21.247 13.250 1.00 0.00 O +ATOM 2646 N THR 173 -22.625 19.092 13.558 1.00 0.00 N +ATOM 2647 HN THR 173 -22.935 18.141 13.570 1.00 0.00 +ATOM 2648 CA THR 173 -21.213 19.363 13.684 1.00 0.00 C +ATOM 2649 HA THR 173 -21.094 20.146 14.295 1.00 0.00 +ATOM 2650 CB THR 173 -20.460 18.169 14.185 1.00 0.00 C +ATOM 2651 HB THR 173 -20.580 17.397 13.561 1.00 0.00 +ATOM 2652 OG1 THR 173 -21.008 17.723 15.410 1.00 0.00 O +ATOM 2653 HG1 THR 173 -20.497 16.927 15.733 1.00 0.00 +ATOM 2654 CG2 THR 173 -18.984 18.549 14.373 1.00 0.00 C +ATOM 2655 HG21 THR 173 -18.476 17.756 14.708 1.00 0.00 +ATOM 2656 HG22 THR 173 -18.602 18.845 13.498 1.00 0.00 +ATOM 2657 HG23 THR 173 -18.913 19.294 15.036 1.00 0.00 +ATOM 2658 C THR 173 -20.752 19.525 12.292 1.00 0.00 C +ATOM 2659 O THR 173 -20.474 18.534 11.617 1.00 0.00 O +ATOM 2660 N ARG 174 -20.585 20.782 11.858 1.00 0.00 N +ATOM 2661 HN ARG 174 -20.573 21.550 12.498 1.00 0.00 +ATOM 2662 CA ARG 174 -20.425 20.991 10.455 1.00 0.00 C +ATOM 2663 HA ARG 174 -20.947 20.227 10.075 1.00 0.00 +ATOM 2664 CB ARG 174 -21.000 22.365 10.035 1.00 0.00 C +ATOM 2665 HB1 ARG 174 -21.809 22.549 10.594 1.00 0.00 +ATOM 2666 HB2 ARG 174 -20.306 23.062 10.214 1.00 0.00 +ATOM 2667 CG ARG 174 -21.412 22.482 8.563 1.00 0.00 C +ATOM 2668 HG1 ARG 174 -20.588 22.617 8.013 1.00 0.00 +ATOM 2669 HG2 ARG 174 -21.859 21.630 8.290 1.00 0.00 +ATOM 2670 CD ARG 174 -22.375 23.647 8.293 1.00 0.00 C +ATOM 2671 HD1 ARG 174 -21.995 24.503 8.642 1.00 0.00 +ATOM 2672 HD2 ARG 174 -22.551 23.736 7.313 1.00 0.00 +ATOM 2673 NE ARG 174 -23.656 23.345 9.003 1.00 0.00 N +ATOM 2674 HE ARG 174 -23.662 23.312 10.002 1.00 0.00 +ATOM 2675 CZ ARG 174 -24.820 23.113 8.324 1.00 0.00 C +ATOM 2676 NH1 ARG 174 -24.870 23.259 6.967 1.00 0.00 N +ATOM 2677 HH11 ARG 174 -24.052 23.537 6.464 1.00 0.00 +ATOM 2678 HH12 ARG 174 -25.725 23.088 6.477 1.00 0.00 +ATOM 2679 NH2 ARG 174 -25.937 22.730 9.010 1.00 0.00 N +ATOM 2680 HH21 ARG 174 -25.901 22.621 10.003 1.00 0.00 +ATOM 2681 HH22 ARG 174 -26.791 22.559 8.519 1.00 0.00 +ATOM 2682 C ARG 174 -19.003 20.832 9.972 1.00 0.00 C +ATOM 2683 O ARG 174 -18.106 21.599 10.302 1.00 0.00 O +ATOM 2684 N LYS 175 -18.768 19.796 9.147 1.00 0.00 N +ATOM 2685 HN LYS 175 -19.518 19.156 8.979 1.00 0.00 +ATOM 2686 CA LYS 175 -17.514 19.544 8.489 1.00 0.00 C +ATOM 2687 HA LYS 175 -16.823 20.189 8.816 1.00 0.00 +ATOM 2688 CB LYS 175 -16.987 18.122 8.756 1.00 0.00 C +ATOM 2689 HB1 LYS 175 -17.709 17.468 8.531 1.00 0.00 +ATOM 2690 HB2 LYS 175 -16.196 17.961 8.166 1.00 0.00 +ATOM 2691 CG LYS 175 -16.560 17.883 10.206 1.00 0.00 C +ATOM 2692 HG1 LYS 175 -15.742 18.427 10.391 1.00 0.00 +ATOM 2693 HG2 LYS 175 -17.300 18.179 10.810 1.00 0.00 +ATOM 2694 CD LYS 175 -16.247 16.417 10.503 1.00 0.00 C +ATOM 2695 HD1 LYS 175 -17.076 15.880 10.343 1.00 0.00 +ATOM 2696 HD2 LYS 175 -15.529 16.116 9.876 1.00 0.00 +ATOM 2697 CE LYS 175 -15.775 16.160 11.936 1.00 0.00 C +ATOM 2698 HE1 LYS 175 -15.116 15.408 11.949 1.00 0.00 +ATOM 2699 HE2 LYS 175 -15.347 16.984 12.308 1.00 0.00 +ATOM 2700 NZ LYS 175 -16.918 15.796 12.798 1.00 0.00 N +ATOM 2701 HZ1 LYS 175 -16.594 15.631 13.730 1.00 0.00 +ATOM 2702 HZ2 LYS 175 -17.583 16.543 12.803 1.00 0.00 +ATOM 2703 HZ3 LYS 175 -17.351 14.967 12.445 1.00 0.00 +ATOM 2704 C LYS 175 -17.903 19.672 7.036 1.00 0.00 C +ATOM 2705 O LYS 175 -18.638 20.608 6.720 1.00 0.00 O +ATOM 2706 N PRO 176 -17.452 18.901 6.086 1.00 0.00 N +ATOM 2707 CD PRO 176 -16.033 18.631 5.942 1.00 0.00 C +ATOM 2708 HD1 PRO 176 -15.717 18.057 6.698 1.00 0.00 +ATOM 2709 HD2 PRO 176 -15.521 19.490 5.939 1.00 0.00 +ATOM 2710 CA PRO 176 -18.087 19.025 4.789 1.00 0.00 C +ATOM 2711 HA PRO 176 -18.312 19.975 4.573 1.00 0.00 +ATOM 2712 CB PRO 176 -17.078 18.520 3.759 1.00 0.00 C +ATOM 2713 HB1 PRO 176 -17.497 17.831 3.168 1.00 0.00 +ATOM 2714 HB2 PRO 176 -16.740 19.277 3.201 1.00 0.00 +ATOM 2715 CG PRO 176 -15.938 17.904 4.593 1.00 0.00 C +ATOM 2716 HG1 PRO 176 -16.073 16.920 4.710 1.00 0.00 +ATOM 2717 HG2 PRO 176 -15.051 18.070 4.162 1.00 0.00 +ATOM 2718 C PRO 176 -19.404 18.272 4.836 1.00 0.00 C +ATOM 2719 O PRO 176 -19.466 17.260 5.532 1.00 0.00 O +ATOM 2720 N PRO 177 -20.425 18.727 4.135 1.00 0.00 N +ATOM 2721 CD PRO 177 -20.526 20.161 3.929 1.00 0.00 C +ATOM 2722 HD1 PRO 177 -19.837 20.453 3.266 1.00 0.00 +ATOM 2723 HD2 PRO 177 -20.375 20.635 4.797 1.00 0.00 +ATOM 2724 CA PRO 177 -21.744 18.112 4.221 1.00 0.00 C +ATOM 2725 HA PRO 177 -21.731 17.670 5.118 1.00 0.00 +ATOM 2726 CB PRO 177 -22.754 19.250 4.035 1.00 0.00 C +ATOM 2727 HB1 PRO 177 -23.497 18.965 3.429 1.00 0.00 +ATOM 2728 HB2 PRO 177 -23.132 19.532 4.917 1.00 0.00 +ATOM 2729 CG PRO 177 -21.948 20.392 3.402 1.00 0.00 C +ATOM 2730 HG1 PRO 177 -21.973 20.337 2.404 1.00 0.00 +ATOM 2731 HG2 PRO 177 -22.298 21.282 3.695 1.00 0.00 +ATOM 2732 C PRO 177 -22.069 16.908 3.380 1.00 0.00 C +ATOM 2733 O PRO 177 -21.349 16.610 2.429 1.00 0.00 O +ATOM 2734 N ALA 178 -23.166 16.192 3.744 1.00 0.00 N +ATOM 2735 HN ALA 178 -23.663 16.460 4.569 1.00 0.00 +ATOM 2736 CA ALA 178 -23.642 15.060 2.986 1.00 0.00 C +ATOM 2737 HA ALA 178 -22.826 14.512 2.802 1.00 0.00 +ATOM 2738 CB ALA 178 -24.671 14.197 3.736 1.00 0.00 C +ATOM 2739 HB1 ALA 178 -24.955 13.435 3.154 1.00 0.00 +ATOM 2740 HB2 ALA 178 -24.259 13.840 4.574 1.00 0.00 +ATOM 2741 HB3 ALA 178 -25.468 14.755 3.968 1.00 0.00 +ATOM 2742 C ALA 178 -24.297 15.603 1.750 1.00 0.00 C +ATOM 2743 O ALA 178 -24.942 16.653 1.790 1.00 0.00 O +ATOM 2744 N PRO 179 -24.152 14.883 0.664 1.00 0.00 N +ATOM 2745 CD PRO 179 -23.069 13.917 0.573 1.00 0.00 C +ATOM 2746 HD1 PRO 179 -23.213 13.187 1.241 1.00 0.00 +ATOM 2747 HD2 PRO 179 -22.197 14.371 0.758 1.00 0.00 +ATOM 2748 CA PRO 179 -24.582 15.325 -0.649 1.00 0.00 C +ATOM 2749 HA PRO 179 -24.466 16.315 -0.572 1.00 0.00 +ATOM 2750 CB PRO 179 -23.717 14.567 -1.662 1.00 0.00 C +ATOM 2751 HB1 PRO 179 -24.273 14.240 -2.426 1.00 0.00 +ATOM 2752 HB2 PRO 179 -22.985 15.153 -2.009 1.00 0.00 +ATOM 2753 CG PRO 179 -23.139 13.388 -0.869 1.00 0.00 C +ATOM 2754 HG1 PRO 179 -23.740 12.591 -0.928 1.00 0.00 +ATOM 2755 HG2 PRO 179 -22.229 13.145 -1.205 1.00 0.00 +ATOM 2756 C PRO 179 -26.023 15.275 -1.046 1.00 0.00 C +ATOM 2757 O PRO 179 -26.792 14.533 -0.436 1.00 0.00 O +ATOM 2758 N LYS 180 -26.378 16.077 -2.084 1.00 0.00 N +ATOM 2759 HN LYS 180 -25.664 16.664 -2.466 1.00 0.00 +ATOM 2760 CA LYS 180 -27.684 16.163 -2.687 1.00 0.00 C +ATOM 2761 HA LYS 180 -28.086 15.252 -2.590 1.00 0.00 +ATOM 2762 CB LYS 180 -28.600 17.204 -2.023 1.00 0.00 C +ATOM 2763 HB1 LYS 180 -28.211 18.113 -2.171 1.00 0.00 +ATOM 2764 HB2 LYS 180 -29.503 17.154 -2.450 1.00 0.00 +ATOM 2765 CG LYS 180 -28.763 16.985 -0.515 1.00 0.00 C +ATOM 2766 HG1 LYS 180 -27.871 17.112 -0.082 1.00 0.00 +ATOM 2767 HG2 LYS 180 -29.403 17.670 -0.167 1.00 0.00 +ATOM 2768 CD LYS 180 -29.288 15.601 -0.127 1.00 0.00 C +ATOM 2769 HD1 LYS 180 -30.272 15.572 -0.302 1.00 0.00 +ATOM 2770 HD2 LYS 180 -28.828 14.915 -0.691 1.00 0.00 +ATOM 2771 CE LYS 180 -29.041 15.269 1.350 1.00 0.00 C +ATOM 2772 HE1 LYS 180 -28.198 15.708 1.661 1.00 0.00 +ATOM 2773 HE2 LYS 180 -29.809 15.592 1.904 1.00 0.00 +ATOM 2774 NZ LYS 180 -28.906 13.807 1.545 1.00 0.00 N +ATOM 2775 HZ1 LYS 180 -28.746 13.613 2.513 1.00 0.00 +ATOM 2776 HZ2 LYS 180 -29.746 13.352 1.248 1.00 0.00 +ATOM 2777 HZ3 LYS 180 -28.135 13.468 1.005 1.00 0.00 +ATOM 2778 C LYS 180 -27.453 16.615 -4.104 1.00 0.00 C +ATOM 2779 O LYS 180 -26.309 16.787 -4.523 1.00 0.00 O +ATOM 2780 N SER 181 -28.519 16.811 -4.907 1.00 0.00 N +ATOM 2781 HN SER 181 -29.455 16.655 -4.590 1.00 0.00 +ATOM 2782 CA SER 181 -28.234 17.256 -6.242 1.00 0.00 C +ATOM 2783 HA SER 181 -27.386 16.787 -6.489 1.00 0.00 +ATOM 2784 CB SER 181 -29.326 16.916 -7.270 1.00 0.00 C +ATOM 2785 HB1 SER 181 -30.220 17.243 -6.965 1.00 0.00 +ATOM 2786 HB2 SER 181 -29.113 17.311 -8.164 1.00 0.00 +ATOM 2787 OG SER 181 -29.410 15.508 -7.428 1.00 0.00 O +ATOM 2788 HG1 SER 181 -30.121 15.289 -8.097 1.00 0.00 +ATOM 2789 C SER 181 -28.111 18.734 -6.184 1.00 0.00 C +ATOM 2790 O SER 181 -29.020 19.479 -6.547 1.00 0.00 O +ATOM 2791 N THR 182 -26.945 19.183 -5.702 1.00 0.00 N +ATOM 2792 HN THR 182 -26.251 18.521 -5.419 1.00 0.00 +ATOM 2793 CA THR 182 -26.664 20.569 -5.580 1.00 0.00 C +ATOM 2794 HA THR 182 -27.454 20.991 -5.135 1.00 0.00 +ATOM 2795 CB THR 182 -25.431 20.761 -4.739 1.00 0.00 C +ATOM 2796 HB THR 182 -25.599 20.441 -3.807 1.00 0.00 +ATOM 2797 OG1 THR 182 -25.159 22.140 -4.586 1.00 0.00 O +ATOM 2798 HG1 THR 182 -24.339 22.258 -4.026 1.00 0.00 +ATOM 2799 CG2 THR 182 -24.233 20.025 -5.363 1.00 0.00 C +ATOM 2800 HG21 THR 182 -23.423 20.163 -4.793 1.00 0.00 +ATOM 2801 HG22 THR 182 -24.436 19.048 -5.423 1.00 0.00 +ATOM 2802 HG23 THR 182 -24.060 20.386 -6.279 1.00 0.00 +ATOM 2803 C THR 182 -26.493 21.163 -6.931 1.00 0.00 C +ATOM 2804 O THR 182 -27.057 22.208 -7.242 1.00 0.00 O +ATOM 2805 N TYR 183 -25.731 20.509 -7.815 1.00 0.00 N +ATOM 2806 HN TYR 183 -25.313 19.622 -7.620 1.00 0.00 +ATOM 2807 CA TYR 183 -25.566 21.186 -9.061 1.00 0.00 C +ATOM 2808 HA TYR 183 -26.335 21.825 -9.053 1.00 0.00 +ATOM 2809 CB TYR 183 -24.213 21.910 -9.172 1.00 0.00 C +ATOM 2810 HB1 TYR 183 -23.482 21.340 -8.797 1.00 0.00 +ATOM 2811 HB2 TYR 183 -24.011 22.126 -10.127 1.00 0.00 +ATOM 2812 CG TYR 183 -24.294 23.179 -8.390 1.00 0.00 C +ATOM 2813 CD1 TYR 183 -24.023 23.228 -7.041 1.00 0.00 C +ATOM 2814 HD1 TYR 183 -23.762 22.394 -6.556 1.00 0.00 +ATOM 2815 CE1 TYR 183 -24.110 24.421 -6.356 1.00 0.00 C +ATOM 2816 HE1 TYR 183 -23.906 24.450 -5.378 1.00 0.00 +ATOM 2817 CZ TYR 183 -24.477 25.572 -7.014 1.00 0.00 C +ATOM 2818 OH TYR 183 -24.568 26.798 -6.319 1.00 0.00 O +ATOM 2819 HH TYR 183 -24.846 27.520 -6.952 1.00 0.00 +ATOM 2820 CD2 TYR 183 -24.666 24.336 -9.036 1.00 0.00 C +ATOM 2821 HD2 TYR 183 -24.875 24.309 -10.014 1.00 0.00 +ATOM 2822 CE2 TYR 183 -24.755 25.527 -8.358 1.00 0.00 C +ATOM 2823 HE2 TYR 183 -25.022 26.360 -8.842 1.00 0.00 +ATOM 2824 C TYR 183 -25.683 20.249 -10.207 1.00 0.00 C +ATOM 2825 O TYR 183 -25.455 19.047 -10.079 1.00 0.00 O +ATOM 2826 N GLU 184 -26.084 20.826 -11.358 1.00 0.00 N +ATOM 2827 HN GLU 184 -26.393 21.776 -11.309 1.00 0.00 +ATOM 2828 CA GLU 184 -26.106 20.199 -12.643 1.00 0.00 C +ATOM 2829 HA GLU 184 -26.207 20.953 -13.292 1.00 0.00 +ATOM 2830 CB GLU 184 -24.803 19.415 -12.898 1.00 0.00 C +ATOM 2831 HB1 GLU 184 -24.129 19.696 -12.215 1.00 0.00 +ATOM 2832 HB2 GLU 184 -24.998 18.440 -12.793 1.00 0.00 +ATOM 2833 CG GLU 184 -24.187 19.626 -14.282 1.00 0.00 C +ATOM 2834 HG1 GLU 184 -23.837 20.560 -14.355 1.00 0.00 +ATOM 2835 HG2 GLU 184 -23.438 18.978 -14.419 1.00 0.00 +ATOM 2836 CD GLU 184 -25.238 19.404 -15.347 1.00 0.00 C +ATOM 2837 OE1 GLU 184 -25.501 18.215 -15.645 1.00 0.00 O +ATOM 2838 OE2 GLU 184 -25.785 20.396 -15.885 1.00 0.00 O +ATOM 2839 C GLU 184 -27.288 19.290 -12.755 1.00 0.00 C +ATOM 2840 O GLU 184 -27.577 18.514 -11.847 1.00 0.00 O +ATOM 2841 N SER 185 -28.030 19.439 -13.874 1.00 0.00 N +ATOM 2842 HN SER 185 -27.741 20.141 -14.525 1.00 0.00 +ATOM 2843 CA SER 185 -29.199 18.673 -14.207 1.00 0.00 C +ATOM 2844 HA SER 185 -29.776 18.729 -13.392 1.00 0.00 +ATOM 2845 CB SER 185 -29.878 19.253 -15.448 1.00 0.00 C +ATOM 2846 HB1 SER 185 -29.313 19.124 -16.263 1.00 0.00 +ATOM 2847 HB2 SER 185 -30.776 18.839 -15.596 1.00 0.00 +ATOM 2848 OG SER 185 -30.058 20.646 -15.248 1.00 0.00 O +ATOM 2849 HG1 SER 185 -30.502 21.043 -16.051 1.00 0.00 +ATOM 2850 C SER 185 -28.838 17.244 -14.500 1.00 0.00 C +ATOM 2851 O SER 185 -28.934 16.369 -13.643 1.00 0.00 O +ATOM 2852 N ASN 186 -28.410 16.940 -15.741 1.00 0.00 N +ATOM 2853 HN ASN 186 -28.352 17.617 -16.475 1.00 0.00 +ATOM 2854 CA ASN 186 -28.045 15.565 -15.923 1.00 0.00 C +ATOM 2855 HA ASN 186 -27.720 15.318 -15.010 1.00 0.00 +ATOM 2856 CB ASN 186 -29.200 14.654 -16.362 1.00 0.00 C +ATOM 2857 HB1 ASN 186 -29.999 14.802 -15.779 1.00 0.00 +ATOM 2858 HB2 ASN 186 -29.443 14.837 -17.314 1.00 0.00 +ATOM 2859 CG ASN 186 -28.703 13.219 -16.215 1.00 0.00 C +ATOM 2860 OD1 ASN 186 -27.876 12.740 -16.989 1.00 0.00 O +ATOM 2861 ND2 ASN 186 -29.208 12.516 -15.168 1.00 0.00 N +ATOM 2862 HD21 ASN 186 -29.866 12.945 -14.549 1.00 0.00 +ATOM 2863 HD22 ASN 186 -28.922 11.570 -15.017 1.00 0.00 +ATOM 2864 C ASN 186 -26.985 15.450 -16.957 1.00 0.00 C +ATOM 2865 O ASN 186 -27.206 14.955 -18.055 1.00 0.00 O +ATOM 2866 N THR 187 -25.756 15.849 -16.647 1.00 0.00 N +ATOM 2867 HN THR 187 -25.523 16.239 -15.756 1.00 0.00 +ATOM 2868 CA THR 187 -24.799 15.677 -17.684 1.00 0.00 C +ATOM 2869 HA THR 187 -25.290 15.229 -18.431 1.00 0.00 +ATOM 2870 CB THR 187 -24.217 16.954 -18.231 1.00 0.00 C +ATOM 2871 HB THR 187 -23.786 17.489 -17.504 1.00 0.00 +ATOM 2872 OG1 THR 187 -25.247 17.796 -18.729 1.00 0.00 O +ATOM 2873 HG1 THR 187 -24.845 18.638 -19.088 1.00 0.00 +ATOM 2874 CG2 THR 187 -23.255 16.583 -19.376 1.00 0.00 C +ATOM 2875 HG21 THR 187 -22.854 17.416 -19.757 1.00 0.00 +ATOM 2876 HG22 THR 187 -22.528 15.994 -19.023 1.00 0.00 +ATOM 2877 HG23 THR 187 -23.759 16.098 -20.091 1.00 0.00 +ATOM 2878 C THR 187 -23.693 14.895 -17.061 1.00 0.00 C +ATOM 2879 O THR 187 -23.382 15.062 -15.884 1.00 0.00 O +ATOM 2880 N LYS 188 -23.071 13.977 -17.813 1.00 0.00 N +ATOM 2881 HN LYS 188 -23.337 13.811 -18.763 1.00 0.00 +ATOM 2882 CA LYS 188 -22.005 13.242 -17.192 1.00 0.00 C +ATOM 2883 HA LYS 188 -22.207 13.269 -16.213 1.00 0.00 +ATOM 2884 CB LYS 188 -21.914 11.796 -17.692 1.00 0.00 C +ATOM 2885 HB1 LYS 188 -22.222 11.771 -18.643 1.00 0.00 +ATOM 2886 HB2 LYS 188 -20.959 11.505 -17.643 1.00 0.00 +ATOM 2887 CG LYS 188 -22.757 10.806 -16.891 1.00 0.00 C +ATOM 2888 HG1 LYS 188 -22.776 9.939 -17.389 1.00 0.00 +ATOM 2889 HG2 LYS 188 -22.317 10.670 -16.003 1.00 0.00 +ATOM 2890 CD LYS 188 -24.197 11.240 -16.643 1.00 0.00 C +ATOM 2891 HD1 LYS 188 -24.366 12.104 -17.118 1.00 0.00 +ATOM 2892 HD2 LYS 188 -24.817 10.539 -16.996 1.00 0.00 +ATOM 2893 CE LYS 188 -24.443 11.428 -15.143 1.00 0.00 C +ATOM 2894 HE1 LYS 188 -24.572 10.537 -14.707 1.00 0.00 +ATOM 2895 HE2 LYS 188 -23.661 11.892 -14.728 1.00 0.00 +ATOM 2896 NZ LYS 188 -25.649 12.243 -14.893 1.00 0.00 N +ATOM 2897 HZ1 LYS 188 -25.782 12.347 -13.907 1.00 0.00 +ATOM 2898 HZ2 LYS 188 -25.535 13.144 -15.311 1.00 0.00 +ATOM 2899 HZ3 LYS 188 -26.446 11.789 -15.291 1.00 0.00 +ATOM 2900 C LYS 188 -20.727 13.912 -17.536 1.00 0.00 C +ATOM 2901 O LYS 188 -20.369 14.059 -18.704 1.00 0.00 O +ATOM 2902 N GLN 189 -20.012 14.329 -16.479 1.00 0.00 N +ATOM 2903 HN GLN 189 -20.374 14.149 -15.564 1.00 0.00 +ATOM 2904 CA GLN 189 -18.762 15.017 -16.587 1.00 0.00 C +ATOM 2905 HA GLN 189 -18.258 14.564 -17.322 1.00 0.00 +ATOM 2906 CB GLN 189 -18.926 16.530 -16.806 1.00 0.00 C +ATOM 2907 HB1 GLN 189 -19.386 16.908 -16.003 1.00 0.00 +ATOM 2908 HB2 GLN 189 -18.013 16.929 -16.886 1.00 0.00 +ATOM 2909 CG GLN 189 -19.722 16.960 -18.034 1.00 0.00 C +ATOM 2910 HG1 GLN 189 -19.162 16.874 -18.858 1.00 0.00 +ATOM 2911 HG2 GLN 189 -20.543 16.398 -18.129 1.00 0.00 +ATOM 2912 CD GLN 189 -20.104 18.417 -17.806 1.00 0.00 C +ATOM 2913 OE1 GLN 189 -19.298 19.222 -17.341 1.00 0.00 O +ATOM 2914 NE2 GLN 189 -21.386 18.759 -18.100 1.00 0.00 N +ATOM 2915 HE21 GLN 189 -22.021 18.068 -18.446 1.00 0.00 +ATOM 2916 HE22 GLN 189 -21.694 19.701 -17.970 1.00 0.00 +ATOM 2917 C GLN 189 -18.216 14.971 -15.211 1.00 0.00 C +ATOM 2918 O GLN 189 -18.604 14.143 -14.396 1.00 0.00 O +ATOM 2919 N LEU 190 -17.299 15.913 -14.951 1.00 0.00 N +ATOM 2920 HN LEU 190 -16.960 16.451 -15.723 1.00 0.00 +ATOM 2921 CA LEU 190 -16.769 16.209 -13.662 1.00 0.00 C +ATOM 2922 HA LEU 190 -16.496 15.311 -13.316 1.00 0.00 +ATOM 2923 CB LEU 190 -15.492 17.047 -13.616 1.00 0.00 C +ATOM 2924 HB1 LEU 190 -15.492 17.691 -14.381 1.00 0.00 +ATOM 2925 HB2 LEU 190 -15.460 17.553 -12.754 1.00 0.00 +ATOM 2926 CG LEU 190 -14.265 16.126 -13.718 1.00 0.00 C +ATOM 2927 HG LEU 190 -13.446 16.698 -13.766 1.00 0.00 +ATOM 2928 CD1 LEU 190 -14.156 15.238 -12.465 1.00 0.00 C +ATOM 2929 HD11 LEU 190 -13.355 14.645 -12.545 1.00 0.00 +ATOM 2930 HD12 LEU 190 -14.063 15.816 -11.654 1.00 0.00 +ATOM 2931 HD13 LEU 190 -14.979 14.676 -12.382 1.00 0.00 +ATOM 2932 CD2 LEU 190 -14.289 15.295 -15.006 1.00 0.00 C +ATOM 2933 HD21 LEU 190 -13.479 14.709 -15.040 1.00 0.00 +ATOM 2934 HD22 LEU 190 -15.112 14.727 -15.021 1.00 0.00 +ATOM 2935 HD23 LEU 190 -14.291 15.907 -15.797 1.00 0.00 +ATOM 2936 C LEU 190 -17.861 16.802 -12.857 1.00 0.00 C +ATOM 2937 O LEU 190 -17.608 17.193 -11.726 1.00 0.00 O +ATOM 2938 N SER 191 -19.042 17.031 -13.472 1.00 0.00 N +ATOM 2939 HN SER 191 -19.100 16.968 -14.468 1.00 0.00 +ATOM 2940 CA SER 191 -20.200 17.359 -12.724 1.00 0.00 C +ATOM 2941 HA SER 191 -19.983 18.200 -12.228 1.00 0.00 +ATOM 2942 CB SER 191 -21.441 17.565 -13.605 1.00 0.00 C +ATOM 2943 HB1 SER 191 -21.603 16.767 -14.185 1.00 0.00 +ATOM 2944 HB2 SER 191 -22.251 17.741 -13.045 1.00 0.00 +ATOM 2945 OG SER 191 -21.257 18.684 -14.457 1.00 0.00 O +ATOM 2946 HG1 SER 191 -22.071 18.808 -15.025 1.00 0.00 +ATOM 2947 C SER 191 -20.464 16.139 -11.886 1.00 0.00 C +ATOM 2948 O SER 191 -21.150 16.192 -10.867 1.00 0.00 O +ATOM 2949 N TYR 192 -19.933 14.983 -12.319 1.00 0.00 N +ATOM 2950 HN TYR 192 -19.473 14.955 -13.206 1.00 0.00 +ATOM 2951 CA TYR 192 -20.015 13.793 -11.533 1.00 0.00 C +ATOM 2952 HA TYR 192 -20.969 13.542 -11.372 1.00 0.00 +ATOM 2953 CB TYR 192 -19.321 12.612 -12.233 1.00 0.00 C +ATOM 2954 HB1 TYR 192 -19.657 12.510 -13.169 1.00 0.00 +ATOM 2955 HB2 TYR 192 -18.330 12.742 -12.247 1.00 0.00 +ATOM 2956 CG TYR 192 -19.644 11.388 -11.460 1.00 0.00 C +ATOM 2957 CD1 TYR 192 -20.944 10.944 -11.403 1.00 0.00 C +ATOM 2958 HD1 TYR 192 -21.661 11.451 -11.881 1.00 0.00 +ATOM 2959 CE1 TYR 192 -21.269 9.813 -10.697 1.00 0.00 C +ATOM 2960 HE1 TYR 192 -22.219 9.503 -10.655 1.00 0.00 +ATOM 2961 CZ TYR 192 -20.287 9.109 -10.049 1.00 0.00 C +ATOM 2962 OH TYR 192 -20.618 7.947 -9.321 1.00 0.00 O +ATOM 2963 HH TYR 192 -19.790 7.561 -8.915 1.00 0.00 +ATOM 2964 CD2 TYR 192 -18.660 10.669 -10.826 1.00 0.00 C +ATOM 2965 HD2 TYR 192 -17.708 10.970 -10.878 1.00 0.00 +ATOM 2966 CE2 TYR 192 -18.985 9.536 -10.121 1.00 0.00 C +ATOM 2967 HE2 TYR 192 -18.267 9.018 -9.656 1.00 0.00 +ATOM 2968 C TYR 192 -19.272 14.184 -10.304 1.00 0.00 C +ATOM 2969 O TYR 192 -19.670 13.874 -9.182 1.00 0.00 O +ATOM 2970 N ASP 193 -18.150 14.895 -10.520 1.00 0.00 N +ATOM 2971 HN ASP 193 -17.835 15.025 -11.460 1.00 0.00 +ATOM 2972 CA ASP 193 -17.392 15.471 -9.452 1.00 0.00 C +ATOM 2973 HA ASP 193 -17.265 14.710 -8.816 1.00 0.00 +ATOM 2974 CB ASP 193 -16.003 15.997 -9.880 1.00 0.00 C +ATOM 2975 HB1 ASP 193 -15.441 15.241 -10.214 1.00 0.00 +ATOM 2976 HB2 ASP 193 -16.106 16.681 -10.603 1.00 0.00 +ATOM 2977 CG ASP 193 -15.322 16.635 -8.681 1.00 0.00 C +ATOM 2978 OD1 ASP 193 -15.687 17.794 -8.351 1.00 0.00 O +ATOM 2979 OD2 ASP 193 -14.416 15.982 -8.097 1.00 0.00 O +ATOM 2980 C ASP 193 -18.202 16.593 -8.851 1.00 0.00 C +ATOM 2981 O ASP 193 -18.010 16.947 -7.699 1.00 0.00 O +ATOM 2982 N GLU 194 -19.109 17.223 -9.623 1.00 0.00 N +ATOM 2983 HN GLU 194 -19.224 16.919 -10.569 1.00 0.00 +ATOM 2984 CA GLU 194 -19.921 18.315 -9.147 1.00 0.00 C +ATOM 2985 HA GLU 194 -19.296 19.015 -8.802 1.00 0.00 +ATOM 2986 CB GLU 194 -20.807 18.868 -10.280 1.00 0.00 C +ATOM 2987 HB1 GLU 194 -20.241 18.923 -11.103 1.00 0.00 +ATOM 2988 HB2 GLU 194 -21.547 18.212 -10.428 1.00 0.00 +ATOM 2989 CG GLU 194 -21.456 20.239 -10.092 1.00 0.00 C +ATOM 2990 HG1 GLU 194 -22.294 20.164 -9.552 1.00 0.00 +ATOM 2991 HG2 GLU 194 -20.825 20.872 -9.643 1.00 0.00 +ATOM 2992 CD GLU 194 -21.767 20.702 -11.514 1.00 0.00 C +ATOM 2993 OE1 GLU 194 -20.829 20.657 -12.352 1.00 0.00 O +ATOM 2994 OE2 GLU 194 -22.933 21.087 -11.794 1.00 0.00 O +ATOM 2995 C GLU 194 -20.803 17.784 -8.066 1.00 0.00 C +ATOM 2996 O GLU 194 -21.013 18.459 -7.061 1.00 0.00 O +ATOM 2997 N VAL 195 -21.394 16.583 -8.256 1.00 0.00 N +ATOM 2998 HN VAL 195 -21.285 16.075 -9.110 1.00 0.00 +ATOM 2999 CA VAL 195 -22.184 16.073 -7.175 1.00 0.00 C +ATOM 3000 HA VAL 195 -22.755 16.870 -6.977 1.00 0.00 +ATOM 3001 CB VAL 195 -23.064 14.885 -7.489 1.00 0.00 C +ATOM 3002 HB VAL 195 -23.475 14.534 -6.648 1.00 0.00 +ATOM 3003 CG1 VAL 195 -24.198 15.347 -8.410 1.00 0.00 C +ATOM 3004 HG11 VAL 195 -24.789 14.570 -8.626 1.00 0.00 +ATOM 3005 HG12 VAL 195 -24.733 16.055 -7.950 1.00 0.00 +ATOM 3006 HG13 VAL 195 -23.811 15.717 -9.255 1.00 0.00 +ATOM 3007 CG2 VAL 195 -22.227 13.733 -8.074 1.00 0.00 C +ATOM 3008 HG21 VAL 195 -22.824 12.956 -8.276 1.00 0.00 +ATOM 3009 HG22 VAL 195 -21.782 14.039 -8.916 1.00 0.00 +ATOM 3010 HG23 VAL 195 -21.532 13.456 -7.411 1.00 0.00 +ATOM 3011 C VAL 195 -21.317 15.667 -6.050 1.00 0.00 C +ATOM 3012 O VAL 195 -21.488 16.138 -4.930 1.00 0.00 O +ATOM 3013 N VAL 196 -20.309 14.830 -6.331 1.00 0.00 N +ATOM 3014 HN VAL 196 -20.043 14.615 -7.271 1.00 0.00 +ATOM 3015 CA VAL 196 -19.643 14.267 -5.210 1.00 0.00 C +ATOM 3016 HA VAL 196 -20.393 13.868 -4.682 1.00 0.00 +ATOM 3017 CB VAL 196 -18.689 13.182 -5.529 1.00 0.00 C +ATOM 3018 HB VAL 196 -17.941 13.478 -6.123 1.00 0.00 +ATOM 3019 CG1 VAL 196 -18.183 12.767 -4.146 1.00 0.00 C +ATOM 3020 HG11 VAL 196 -17.519 12.025 -4.243 1.00 0.00 +ATOM 3021 HG12 VAL 196 -17.746 13.549 -3.702 1.00 0.00 +ATOM 3022 HG13 VAL 196 -18.953 12.455 -3.589 1.00 0.00 +ATOM 3023 CG2 VAL 196 -19.379 12.061 -6.328 1.00 0.00 C +ATOM 3024 HG21 VAL 196 -18.716 11.340 -6.532 1.00 0.00 +ATOM 3025 HG22 VAL 196 -20.130 11.680 -5.788 1.00 0.00 +ATOM 3026 HG23 VAL 196 -19.739 12.434 -7.183 1.00 0.00 +ATOM 3027 C VAL 196 -18.903 15.336 -4.494 1.00 0.00 C +ATOM 3028 O VAL 196 -18.731 15.306 -3.276 1.00 0.00 O +ATOM 3029 N ASN 197 -18.410 16.324 -5.232 1.00 0.00 N +ATOM 3030 HN ASN 197 -18.578 16.401 -6.215 1.00 0.00 +ATOM 3031 CA ASN 197 -17.628 17.257 -4.515 1.00 0.00 C +ATOM 3032 HA ASN 197 -17.441 16.793 -3.649 1.00 0.00 +ATOM 3033 CB ASN 197 -16.323 17.563 -5.231 1.00 0.00 C +ATOM 3034 HB1 ASN 197 -16.475 17.744 -6.203 1.00 0.00 +ATOM 3035 HB2 ASN 197 -15.855 18.343 -4.816 1.00 0.00 +ATOM 3036 CG ASN 197 -15.541 16.276 -5.024 1.00 0.00 C +ATOM 3037 OD1 ASN 197 -14.774 16.162 -4.071 1.00 0.00 O +ATOM 3038 ND2 ASN 197 -15.746 15.271 -5.916 1.00 0.00 N +ATOM 3039 HD21 ASN 197 -16.390 15.396 -6.670 1.00 0.00 +ATOM 3040 HD22 ASN 197 -15.252 14.407 -5.818 1.00 0.00 +ATOM 3041 C ASN 197 -18.394 18.488 -4.210 1.00 0.00 C +ATOM 3042 O ASN 197 -18.016 19.593 -4.597 1.00 0.00 O +ATOM 3043 N GLN 198 -19.497 18.342 -3.458 1.00 0.00 N +ATOM 3044 HN GLN 198 -19.860 17.449 -3.192 1.00 0.00 +ATOM 3045 CA GLN 198 -20.099 19.559 -3.076 1.00 0.00 C +ATOM 3046 HA GLN 198 -20.282 20.045 -3.930 1.00 0.00 +ATOM 3047 CB GLN 198 -21.401 19.325 -2.291 1.00 0.00 C +ATOM 3048 HB1 GLN 198 -22.080 18.945 -2.919 1.00 0.00 +ATOM 3049 HB2 GLN 198 -21.213 18.665 -1.564 1.00 0.00 +ATOM 3050 CG GLN 198 -22.004 20.573 -1.647 1.00 0.00 C +ATOM 3051 HG1 GLN 198 -21.631 21.394 -2.080 1.00 0.00 +ATOM 3052 HG2 GLN 198 -22.999 20.564 -1.751 1.00 0.00 +ATOM 3053 CD GLN 198 -21.638 20.556 -0.167 1.00 0.00 C +ATOM 3054 OE1 GLN 198 -21.055 19.595 0.333 1.00 0.00 O +ATOM 3055 NE2 GLN 198 -22.019 21.642 0.555 1.00 0.00 N +ATOM 3056 HE21 GLN 198 -22.510 22.391 0.110 1.00 0.00 +ATOM 3057 HE22 GLN 198 -21.809 21.692 1.531 1.00 0.00 +ATOM 3058 C GLN 198 -19.122 20.276 -2.189 1.00 0.00 C +ATOM 3059 O GLN 198 -18.500 21.224 -2.646 1.00 0.00 O +ATOM 3060 N SER 199 -18.817 19.696 -1.001 1.00 0.00 N +ATOM 3061 HN SER 199 -19.221 18.792 -0.863 1.00 0.00 +ATOM 3062 CA SER 199 -18.002 20.169 0.104 1.00 0.00 C +ATOM 3063 HA SER 199 -18.507 19.691 0.823 1.00 0.00 +ATOM 3064 CB SER 199 -16.521 19.766 0.028 1.00 0.00 C +ATOM 3065 HB1 SER 199 -16.419 18.772 0.070 1.00 0.00 +ATOM 3066 HB2 SER 199 -16.100 20.110 -0.811 1.00 0.00 +ATOM 3067 OG SER 199 -15.810 20.320 1.126 1.00 0.00 O +ATOM 3068 HG1 SER 199 -14.848 20.053 1.069 1.00 0.00 +ATOM 3069 C SER 199 -18.029 21.649 0.376 1.00 0.00 C +ATOM 3070 O SER 199 -18.205 22.493 -0.499 1.00 0.00 O +ATOM 3071 N SER 200 -17.850 22.007 1.664 1.00 0.00 N +ATOM 3072 HN SER 200 -17.778 21.311 2.378 1.00 0.00 +ATOM 3073 CA SER 200 -17.764 23.400 1.996 1.00 0.00 C +ATOM 3074 HA SER 200 -18.418 23.850 1.388 1.00 0.00 +ATOM 3075 CB SER 200 -18.151 23.742 3.444 1.00 0.00 C +ATOM 3076 HB1 SER 200 -19.043 23.355 3.678 1.00 0.00 +ATOM 3077 HB2 SER 200 -17.463 23.408 4.088 1.00 0.00 +ATOM 3078 OG SER 200 -18.237 25.151 3.593 1.00 0.00 O +ATOM 3079 HG1 SER 200 -18.489 25.372 4.535 1.00 0.00 +ATOM 3080 C SER 200 -16.341 23.798 1.763 1.00 0.00 C +ATOM 3081 O SER 200 -15.463 22.934 1.673 1.00 0.00 O +ATOM 3082 N PRO 201 -16.069 25.071 1.666 1.00 0.00 N +ATOM 3083 CD PRO 201 -17.061 25.991 1.125 1.00 0.00 C +ATOM 3084 HD1 PRO 201 -17.616 26.357 1.872 1.00 0.00 +ATOM 3085 HD2 PRO 201 -17.650 25.503 0.481 1.00 0.00 +ATOM 3086 CA PRO 201 -14.734 25.495 1.343 1.00 0.00 C +ATOM 3087 HA PRO 201 -14.419 24.939 0.574 1.00 0.00 +ATOM 3088 CB PRO 201 -14.843 26.979 1.001 1.00 0.00 C +ATOM 3089 HB1 PRO 201 -14.736 27.543 1.820 1.00 0.00 +ATOM 3090 HB2 PRO 201 -14.155 27.241 0.324 1.00 0.00 +ATOM 3091 CG PRO 201 -16.264 27.101 0.424 1.00 0.00 C +ATOM 3092 HG1 PRO 201 -16.654 27.999 0.630 1.00 0.00 +ATOM 3093 HG2 PRO 201 -16.257 26.959 -0.566 1.00 0.00 +ATOM 3094 C PRO 201 -13.704 25.166 2.372 1.00 0.00 C +ATOM 3095 O PRO 201 -12.518 25.245 2.058 1.00 0.00 O +ATOM 3096 N SER 202 -14.127 24.824 3.598 1.00 0.00 N +ATOM 3097 HN SER 202 -15.112 24.775 3.763 1.00 0.00 +ATOM 3098 CA SER 202 -13.240 24.524 4.686 1.00 0.00 C +ATOM 3099 HA SER 202 -12.635 25.320 4.712 1.00 0.00 +ATOM 3100 CB SER 202 -14.014 24.297 5.995 1.00 0.00 C +ATOM 3101 HB1 SER 202 -14.617 23.503 5.919 1.00 0.00 +ATOM 3102 HB2 SER 202 -13.386 24.166 6.762 1.00 0.00 +ATOM 3103 OG SER 202 -14.824 25.425 6.291 1.00 0.00 O +ATOM 3104 HG1 SER 202 -15.321 25.264 7.144 1.00 0.00 +ATOM 3105 C SER 202 -12.496 23.246 4.426 1.00 0.00 C +ATOM 3106 O SER 202 -11.372 23.077 4.899 1.00 0.00 O +ATOM 3107 N ASN 203 -13.107 22.308 3.677 1.00 0.00 N +ATOM 3108 HN ASN 203 -13.981 22.525 3.243 1.00 0.00 +ATOM 3109 CA ASN 203 -12.535 21.000 3.485 1.00 0.00 C +ATOM 3110 HA ASN 203 -12.151 20.793 4.385 1.00 0.00 +ATOM 3111 CB ASN 203 -13.597 19.982 3.034 1.00 0.00 C +ATOM 3112 HB1 ASN 203 -14.401 20.049 3.625 1.00 0.00 +ATOM 3113 HB2 ASN 203 -13.862 20.168 2.088 1.00 0.00 +ATOM 3114 CG ASN 203 -13.027 18.578 3.125 1.00 0.00 C +ATOM 3115 OD1 ASN 203 -11.953 18.359 3.682 1.00 0.00 O +ATOM 3116 ND2 ASN 203 -13.774 17.593 2.560 1.00 0.00 N +ATOM 3117 HD21 ASN 203 -14.643 17.815 2.119 1.00 0.00 +ATOM 3118 HD22 ASN 203 -13.454 16.646 2.586 1.00 0.00 +ATOM 3119 C ASN 203 -11.460 21.012 2.433 1.00 0.00 C +ATOM 3120 O ASN 203 -11.709 21.333 1.273 1.00 0.00 O +ATOM 3121 N CYS 204 -10.208 20.749 2.867 1.00 0.00 N +ATOM 3122 HN CYS 204 -10.120 20.624 3.855 1.00 0.00 +ATOM 3123 CA CYS 204 -8.977 20.620 2.124 1.00 0.00 C +ATOM 3124 HA CYS 204 -9.166 21.208 1.338 1.00 0.00 +ATOM 3125 CB CYS 204 -7.777 21.062 2.963 1.00 0.00 C +ATOM 3126 HB1 CYS 204 -7.718 20.401 3.711 1.00 0.00 +ATOM 3127 HB2 CYS 204 -6.982 20.960 2.364 1.00 0.00 +ATOM 3128 SG CYS 204 -7.989 22.765 3.555 1.00 0.00 S +ATOM 3129 HG1 CYS 204 -7.193 23.030 4.100 1.00 0.00 +ATOM 3130 C CYS 204 -8.679 19.220 1.650 1.00 0.00 C +ATOM 3131 O CYS 204 -7.702 19.013 0.928 1.00 0.00 O +ATOM 3132 N THR 205 -9.428 18.204 2.115 1.00 0.00 N +ATOM 3133 HN THR 205 -10.289 18.381 2.591 1.00 0.00 +ATOM 3134 CA THR 205 -8.964 16.858 1.913 1.00 0.00 C +ATOM 3135 HA THR 205 -7.991 16.995 1.726 1.00 0.00 +ATOM 3136 CB THR 205 -9.204 16.007 3.127 1.00 0.00 C +ATOM 3137 HB THR 205 -10.179 15.974 3.345 1.00 0.00 +ATOM 3138 OG1 THR 205 -8.600 16.595 4.270 1.00 0.00 O +ATOM 3139 HG1 THR 205 -8.768 16.018 5.070 1.00 0.00 +ATOM 3140 CG2 THR 205 -8.604 14.617 2.876 1.00 0.00 C +ATOM 3141 HG21 THR 205 -8.756 14.038 3.677 1.00 0.00 +ATOM 3142 HG22 THR 205 -9.043 14.204 2.078 1.00 0.00 +ATOM 3143 HG23 THR 205 -7.622 14.703 2.709 1.00 0.00 +ATOM 3144 C THR 205 -9.630 16.170 0.760 1.00 0.00 C +ATOM 3145 O THR 205 -10.846 16.233 0.585 1.00 0.00 O +ATOM 3146 N VAL 206 -8.811 15.465 -0.056 1.00 0.00 N +ATOM 3147 HN VAL 206 -7.829 15.474 0.135 1.00 0.00 +ATOM 3148 CA VAL 206 -9.278 14.707 -1.178 1.00 0.00 C +ATOM 3149 HA VAL 206 -10.206 15.033 -1.358 1.00 0.00 +ATOM 3150 CB VAL 206 -8.438 14.892 -2.416 1.00 0.00 C +ATOM 3151 HB VAL 206 -7.487 14.643 -2.235 1.00 0.00 +ATOM 3152 CG1 VAL 206 -8.943 13.953 -3.525 1.00 0.00 C +ATOM 3153 HG11 VAL 206 -8.385 14.076 -4.346 1.00 0.00 +ATOM 3154 HG12 VAL 206 -8.875 13.005 -3.215 1.00 0.00 +ATOM 3155 HG13 VAL 206 -9.897 14.168 -3.735 1.00 0.00 +ATOM 3156 CG2 VAL 206 -8.472 16.377 -2.807 1.00 0.00 C +ATOM 3157 HG21 VAL 206 -7.919 16.518 -3.628 1.00 0.00 +ATOM 3158 HG22 VAL 206 -9.416 16.652 -2.990 1.00 0.00 +ATOM 3159 HG23 VAL 206 -8.103 16.927 -2.058 1.00 0.00 +ATOM 3160 C VAL 206 -9.179 13.270 -0.790 1.00 0.00 C +ATOM 3161 O VAL 206 -8.185 12.831 -0.210 1.00 0.00 O +ATOM 3162 N TYR 207 -10.229 12.495 -1.114 1.00 0.00 N +ATOM 3163 HN TYR 207 -11.002 12.896 -1.606 1.00 0.00 +ATOM 3164 CA TYR 207 -10.261 11.108 -0.768 1.00 0.00 C +ATOM 3165 HA TYR 207 -9.584 10.967 -0.046 1.00 0.00 +ATOM 3166 CB TYR 207 -11.662 10.680 -0.283 1.00 0.00 C +ATOM 3167 HB1 TYR 207 -11.885 11.161 0.565 1.00 0.00 +ATOM 3168 HB2 TYR 207 -12.342 10.903 -0.982 1.00 0.00 +ATOM 3169 CG TYR 207 -11.728 9.212 -0.018 1.00 0.00 C +ATOM 3170 CD1 TYR 207 -12.029 8.330 -1.030 1.00 0.00 C +ATOM 3171 HD1 TYR 207 -12.200 8.676 -1.953 1.00 0.00 +ATOM 3172 CE1 TYR 207 -12.098 6.976 -0.786 1.00 0.00 C +ATOM 3173 HE1 TYR 207 -12.313 6.344 -1.531 1.00 0.00 +ATOM 3174 CZ TYR 207 -11.871 6.493 0.482 1.00 0.00 C +ATOM 3175 OH TYR 207 -11.938 5.107 0.746 1.00 0.00 O +ATOM 3176 HH TYR 207 -11.747 4.942 1.714 1.00 0.00 +ATOM 3177 CD2 TYR 207 -11.509 8.721 1.248 1.00 0.00 C +ATOM 3178 HD2 TYR 207 -11.300 9.352 1.995 1.00 0.00 +ATOM 3179 CE2 TYR 207 -11.575 7.369 1.496 1.00 0.00 C +ATOM 3180 HE2 TYR 207 -11.407 7.023 2.419 1.00 0.00 +ATOM 3181 C TYR 207 -9.930 10.365 -2.014 1.00 0.00 C +ATOM 3182 O TYR 207 -10.690 10.366 -2.984 1.00 0.00 O +ATOM 3183 N CYS 208 -8.743 9.730 -2.025 1.00 0.00 N +ATOM 3184 HN CYS 208 -8.140 9.778 -1.229 1.00 0.00 +ATOM 3185 CA CYS 208 -8.351 8.990 -3.177 1.00 0.00 C +ATOM 3186 HA CYS 208 -8.932 9.319 -3.922 1.00 0.00 +ATOM 3187 CB CYS 208 -6.869 9.177 -3.545 1.00 0.00 C +ATOM 3188 HB1 CYS 208 -6.749 10.166 -3.635 1.00 0.00 +ATOM 3189 HB2 CYS 208 -6.362 8.850 -2.747 1.00 0.00 +ATOM 3190 SG CYS 208 -6.403 8.291 -5.061 1.00 0.00 S +ATOM 3191 HG1 CYS 208 -5.434 8.446 -5.253 1.00 0.00 +ATOM 3192 C CYS 208 -8.557 7.563 -2.828 1.00 0.00 C +ATOM 3193 O CYS 208 -8.080 7.092 -1.799 1.00 0.00 O +ATOM 3194 N GLY 209 -9.293 6.831 -3.678 1.00 0.00 N +ATOM 3195 HN GLY 209 -9.655 7.243 -4.514 1.00 0.00 +ATOM 3196 CA GLY 209 -9.556 5.462 -3.381 1.00 0.00 C +ATOM 3197 HA1 GLY 209 -8.898 5.148 -2.697 1.00 0.00 +ATOM 3198 HA2 GLY 209 -10.482 5.384 -3.012 1.00 0.00 +ATOM 3199 C GLY 209 -9.424 4.672 -4.636 1.00 0.00 C +ATOM 3200 O GLY 209 -9.546 5.197 -5.744 1.00 0.00 O +ATOM 3201 N GLY 210 -9.202 3.357 -4.459 1.00 0.00 N +ATOM 3202 HN GLY 210 -9.125 2.992 -3.531 1.00 0.00 +ATOM 3203 CA GLY 210 -9.075 2.474 -5.575 1.00 0.00 C +ATOM 3204 HA1 GLY 210 -9.658 1.678 -5.412 1.00 0.00 +ATOM 3205 HA2 GLY 210 -9.390 2.956 -6.393 1.00 0.00 +ATOM 3206 C GLY 210 -7.650 2.046 -5.743 1.00 0.00 C +ATOM 3207 O GLY 210 -7.389 1.102 -6.484 1.00 0.00 O +ATOM 3208 N VAL 211 -6.684 2.704 -5.065 1.00 0.00 N +ATOM 3209 HN VAL 211 -6.916 3.451 -4.443 1.00 0.00 +ATOM 3210 CA VAL 211 -5.314 2.307 -5.257 1.00 0.00 C +ATOM 3211 HA VAL 211 -5.275 1.980 -6.201 1.00 0.00 +ATOM 3212 CB VAL 211 -4.335 3.430 -5.077 1.00 0.00 C +ATOM 3213 HB VAL 211 -4.371 3.790 -4.145 1.00 0.00 +ATOM 3214 CG1 VAL 211 -2.908 2.890 -5.296 1.00 0.00 C +ATOM 3215 HG11 VAL 211 -2.249 3.633 -5.178 1.00 0.00 +ATOM 3216 HG12 VAL 211 -2.719 2.168 -4.631 1.00 0.00 +ATOM 3217 HG13 VAL 211 -2.830 2.519 -6.222 1.00 0.00 +ATOM 3218 CG2 VAL 211 -4.731 4.571 -6.028 1.00 0.00 C +ATOM 3219 HG21 VAL 211 -4.089 5.331 -5.923 1.00 0.00 +ATOM 3220 HG22 VAL 211 -4.706 4.242 -6.972 1.00 0.00 +ATOM 3221 HG23 VAL 211 -5.655 4.883 -5.808 1.00 0.00 +ATOM 3222 C VAL 211 -4.981 1.270 -4.235 1.00 0.00 C +ATOM 3223 O VAL 211 -4.593 1.568 -3.107 1.00 0.00 O +ATOM 3224 N THR 212 -5.178 0.007 -4.639 1.00 0.00 N +ATOM 3225 HN THR 212 -5.540 -0.124 -5.562 1.00 0.00 +ATOM 3226 CA THR 212 -4.918 -1.168 -3.872 1.00 0.00 C +ATOM 3227 HA THR 212 -5.294 -0.995 -2.962 1.00 0.00 +ATOM 3228 CB THR 212 -5.564 -2.353 -4.525 1.00 0.00 C +ATOM 3229 HB THR 212 -5.173 -2.509 -5.432 1.00 0.00 +ATOM 3230 OG1 THR 212 -6.941 -2.100 -4.753 1.00 0.00 O +ATOM 3231 HG1 THR 212 -7.359 -2.897 -5.188 1.00 0.00 +ATOM 3232 CG2 THR 212 -5.418 -3.557 -3.593 1.00 0.00 C +ATOM 3233 HG21 THR 212 -5.844 -4.358 -4.014 1.00 0.00 +ATOM 3234 HG22 THR 212 -4.448 -3.740 -3.435 1.00 0.00 +ATOM 3235 HG23 THR 212 -5.867 -3.360 -2.721 1.00 0.00 +ATOM 3236 C THR 212 -3.441 -1.420 -3.833 1.00 0.00 C +ATOM 3237 O THR 212 -2.906 -1.834 -2.807 1.00 0.00 O +ATOM 3238 N SER 213 -2.739 -1.169 -4.962 1.00 0.00 N +ATOM 3239 HN SER 213 -3.183 -0.721 -5.738 1.00 0.00 +ATOM 3240 CA SER 213 -1.354 -1.547 -5.047 1.00 0.00 C +ATOM 3241 HA SER 213 -1.152 -1.860 -4.119 1.00 0.00 +ATOM 3242 CB SER 213 -1.108 -2.642 -6.104 1.00 0.00 C +ATOM 3243 HB1 SER 213 -1.618 -3.473 -5.881 1.00 0.00 +ATOM 3244 HB2 SER 213 -1.371 -2.323 -7.014 1.00 0.00 +ATOM 3245 OG SER 213 0.268 -2.990 -6.157 1.00 0.00 O +ATOM 3246 HG1 SER 213 0.406 -3.700 -6.847 1.00 0.00 +ATOM 3247 C SER 213 -0.511 -0.371 -5.434 1.00 0.00 C +ATOM 3248 O SER 213 -1.004 0.633 -5.945 1.00 0.00 O +ATOM 3249 N GLY 214 0.801 -0.465 -5.120 1.00 0.00 N +ATOM 3250 HN GLY 214 1.101 -1.260 -4.593 1.00 0.00 +ATOM 3251 CA GLY 214 1.792 0.506 -5.496 1.00 0.00 C +ATOM 3252 HA1 GLY 214 2.695 0.155 -5.247 1.00 0.00 +ATOM 3253 HA2 GLY 214 1.748 0.642 -6.486 1.00 0.00 +ATOM 3254 C GLY 214 1.526 1.791 -4.788 1.00 0.00 C +ATOM 3255 O GLY 214 2.141 2.814 -5.091 1.00 0.00 O +ATOM 3256 N LEU 215 0.632 1.763 -3.787 1.00 0.00 N +ATOM 3257 HN LEU 215 0.252 0.891 -3.480 1.00 0.00 +ATOM 3258 CA LEU 215 0.224 2.981 -3.161 1.00 0.00 C +ATOM 3259 HA LEU 215 0.133 3.634 -3.913 1.00 0.00 +ATOM 3260 CB LEU 215 -1.107 2.828 -2.404 1.00 0.00 C +ATOM 3261 HB1 LEU 215 -1.787 2.459 -3.037 1.00 0.00 +ATOM 3262 HB2 LEU 215 -0.968 2.184 -1.651 1.00 0.00 +ATOM 3263 CG LEU 215 -1.656 4.139 -1.820 1.00 0.00 C +ATOM 3264 HG LEU 215 -0.945 4.555 -1.253 1.00 0.00 +ATOM 3265 CD1 LEU 215 -1.984 5.144 -2.937 1.00 0.00 C +ATOM 3266 HD11 LEU 215 -2.339 5.987 -2.533 1.00 0.00 +ATOM 3267 HD12 LEU 215 -1.154 5.347 -3.457 1.00 0.00 +ATOM 3268 HD13 LEU 215 -2.672 4.751 -3.547 1.00 0.00 +ATOM 3269 CD2 LEU 215 -2.857 3.872 -0.900 1.00 0.00 C +ATOM 3270 HD21 LEU 215 -3.195 4.739 -0.533 1.00 0.00 +ATOM 3271 HD22 LEU 215 -3.583 3.424 -1.422 1.00 0.00 +ATOM 3272 HD23 LEU 215 -2.574 3.279 -0.146 1.00 0.00 +ATOM 3273 C LEU 215 1.280 3.402 -2.199 1.00 0.00 C +ATOM 3274 O LEU 215 1.477 2.795 -1.147 1.00 0.00 O +ATOM 3275 N THR 216 1.991 4.483 -2.567 1.00 0.00 N +ATOM 3276 HN THR 216 1.786 4.920 -3.443 1.00 0.00 +ATOM 3277 CA THR 216 3.028 5.028 -1.750 1.00 0.00 C +ATOM 3278 HA THR 216 3.003 4.518 -0.890 1.00 0.00 +ATOM 3279 CB THR 216 4.394 4.872 -2.352 1.00 0.00 C +ATOM 3280 HB THR 216 5.073 5.377 -1.819 1.00 0.00 +ATOM 3281 OG1 THR 216 4.436 5.473 -3.638 1.00 0.00 O +ATOM 3282 HG1 THR 216 5.350 5.362 -4.028 1.00 0.00 +ATOM 3283 CG2 THR 216 4.720 3.372 -2.451 1.00 0.00 C +ATOM 3284 HG21 THR 216 5.629 3.254 -2.851 1.00 0.00 +ATOM 3285 HG22 THR 216 4.703 2.966 -1.537 1.00 0.00 +ATOM 3286 HG23 THR 216 4.040 2.921 -3.029 1.00 0.00 +ATOM 3287 C THR 216 2.736 6.485 -1.607 1.00 0.00 C +ATOM 3288 O THR 216 1.898 7.036 -2.319 1.00 0.00 O +ATOM 3289 N GLU 217 3.400 7.137 -0.638 1.00 0.00 N +ATOM 3290 HN GLU 217 4.052 6.640 -0.065 1.00 0.00 +ATOM 3291 CA GLU 217 3.186 8.537 -0.415 1.00 0.00 C +ATOM 3292 HA GLU 217 2.196 8.625 -0.302 1.00 0.00 +ATOM 3293 CB GLU 217 3.916 9.052 0.845 1.00 0.00 C +ATOM 3294 HB1 GLU 217 3.848 10.050 0.860 1.00 0.00 +ATOM 3295 HB2 GLU 217 3.457 8.674 1.649 1.00 0.00 +ATOM 3296 CG GLU 217 5.401 8.680 0.933 1.00 0.00 C +ATOM 3297 HG1 GLU 217 5.705 8.727 1.885 1.00 0.00 +ATOM 3298 HG2 GLU 217 5.538 7.753 0.585 1.00 0.00 +ATOM 3299 CD GLU 217 6.211 9.657 0.097 1.00 0.00 C +ATOM 3300 OE1 GLU 217 5.898 10.877 0.139 1.00 0.00 O +ATOM 3301 OE2 GLU 217 7.145 9.192 -0.609 1.00 0.00 O +ATOM 3302 C GLU 217 3.659 9.296 -1.614 1.00 0.00 C +ATOM 3303 O GLU 217 3.024 10.260 -2.038 1.00 0.00 O +ATOM 3304 N GLN 218 4.787 8.856 -2.197 1.00 0.00 N +ATOM 3305 HN GLN 218 5.218 8.029 -1.835 1.00 0.00 +ATOM 3306 CA GLN 218 5.403 9.513 -3.311 1.00 0.00 C +ATOM 3307 HA GLN 218 5.525 10.454 -2.997 1.00 0.00 +ATOM 3308 CB GLN 218 6.732 8.845 -3.697 1.00 0.00 C +ATOM 3309 HB1 GLN 218 7.156 9.374 -4.432 1.00 0.00 +ATOM 3310 HB2 GLN 218 7.334 8.841 -2.898 1.00 0.00 +ATOM 3311 CG GLN 218 6.545 7.401 -4.177 1.00 0.00 C +ATOM 3312 HG1 GLN 218 6.044 6.878 -3.487 1.00 0.00 +ATOM 3313 HG2 GLN 218 6.034 7.394 -5.036 1.00 0.00 +ATOM 3314 CD GLN 218 7.914 6.771 -4.396 1.00 0.00 C +ATOM 3315 OE1 GLN 218 8.032 5.710 -5.009 1.00 0.00 O +ATOM 3316 NE2 GLN 218 8.977 7.442 -3.880 1.00 0.00 N +ATOM 3317 HE21 GLN 218 8.835 8.301 -3.388 1.00 0.00 +ATOM 3318 HE22 GLN 218 9.901 7.077 -3.992 1.00 0.00 +ATOM 3319 C GLN 218 4.509 9.443 -4.505 1.00 0.00 C +ATOM 3320 O GLN 218 4.355 10.428 -5.226 1.00 0.00 O +ATOM 3321 N LEU 219 3.876 8.277 -4.741 1.00 0.00 N +ATOM 3322 HN LEU 219 3.952 7.521 -4.091 1.00 0.00 +ATOM 3323 CA LEU 219 3.093 8.131 -5.933 1.00 0.00 C +ATOM 3324 HA LEU 219 3.741 8.325 -6.670 1.00 0.00 +ATOM 3325 CB LEU 219 2.498 6.715 -6.104 1.00 0.00 C +ATOM 3326 HB1 LEU 219 3.235 6.053 -5.968 1.00 0.00 +ATOM 3327 HB2 LEU 219 1.801 6.587 -5.399 1.00 0.00 +ATOM 3328 CG LEU 219 1.846 6.431 -7.481 1.00 0.00 C +ATOM 3329 HG LEU 219 1.496 5.495 -7.454 1.00 0.00 +ATOM 3330 CD1 LEU 219 0.612 7.306 -7.762 1.00 0.00 C +ATOM 3331 HD11 LEU 219 0.238 7.077 -8.661 1.00 0.00 +ATOM 3332 HD12 LEU 219 -0.081 7.140 -7.061 1.00 0.00 +ATOM 3333 HD13 LEU 219 0.877 8.270 -7.747 1.00 0.00 +ATOM 3334 CD2 LEU 219 2.884 6.491 -8.612 1.00 0.00 C +ATOM 3335 HD21 LEU 219 2.436 6.304 -9.486 1.00 0.00 +ATOM 3336 HD22 LEU 219 3.297 7.401 -8.637 1.00 0.00 +ATOM 3337 HD23 LEU 219 3.595 5.807 -8.449 1.00 0.00 +ATOM 3338 C LEU 219 1.971 9.122 -5.892 1.00 0.00 C +ATOM 3339 O LEU 219 1.711 9.805 -6.880 1.00 0.00 O +ATOM 3340 N MET 220 1.268 9.223 -4.747 1.00 0.00 N +ATOM 3341 HN MET 220 1.516 8.655 -3.962 1.00 0.00 +ATOM 3342 CA MET 220 0.167 10.137 -4.641 1.00 0.00 C +ATOM 3343 HA MET 220 -0.412 9.888 -5.417 1.00 0.00 +ATOM 3344 CB MET 220 -0.580 10.013 -3.305 1.00 0.00 C +ATOM 3345 HB1 MET 220 0.079 10.131 -2.562 1.00 0.00 +ATOM 3346 HB2 MET 220 -1.267 10.738 -3.259 1.00 0.00 +ATOM 3347 CG MET 220 -1.286 8.672 -3.109 1.00 0.00 C +ATOM 3348 HG1 MET 220 -0.560 7.995 -3.232 1.00 0.00 +ATOM 3349 HG2 MET 220 -1.571 8.685 -2.151 1.00 0.00 +ATOM 3350 SD MET 220 -2.686 8.377 -4.230 1.00 0.00 S +ATOM 3351 CE MET 220 -1.666 7.914 -5.659 1.00 0.00 C +ATOM 3352 HE1 MET 220 -2.258 7.698 -6.435 1.00 0.00 +ATOM 3353 HE2 MET 220 -1.065 8.676 -5.900 1.00 0.00 +ATOM 3354 HE3 MET 220 -1.113 7.113 -5.429 1.00 0.00 +ATOM 3355 C MET 220 0.668 11.542 -4.725 1.00 0.00 C +ATOM 3356 O MET 220 0.116 12.370 -5.447 1.00 0.00 O +ATOM 3357 N ARG 221 1.769 11.841 -4.013 1.00 0.00 N +ATOM 3358 HN ARG 221 2.258 11.118 -3.525 1.00 0.00 +ATOM 3359 CA ARG 221 2.244 13.193 -3.952 1.00 0.00 C +ATOM 3360 HA ARG 221 1.466 13.686 -3.561 1.00 0.00 +ATOM 3361 CB ARG 221 3.509 13.352 -3.089 1.00 0.00 C +ATOM 3362 HB1 ARG 221 3.301 13.050 -2.159 1.00 0.00 +ATOM 3363 HB2 ARG 221 4.232 12.777 -3.472 1.00 0.00 +ATOM 3364 CG ARG 221 4.020 14.795 -3.027 1.00 0.00 C +ATOM 3365 HG1 ARG 221 4.086 15.149 -3.960 1.00 0.00 +ATOM 3366 HG2 ARG 221 3.363 15.343 -2.508 1.00 0.00 +ATOM 3367 CD ARG 221 5.390 14.927 -2.363 1.00 0.00 C +ATOM 3368 HD1 ARG 221 6.045 14.297 -2.781 1.00 0.00 +ATOM 3369 HD2 ARG 221 5.730 15.864 -2.444 1.00 0.00 +ATOM 3370 NE ARG 221 5.217 14.583 -0.925 1.00 0.00 N +ATOM 3371 HE ARG 221 4.391 14.871 -0.441 1.00 0.00 +ATOM 3372 CZ ARG 221 6.179 13.877 -0.265 1.00 0.00 C +ATOM 3373 NH1 ARG 221 7.296 13.444 -0.923 1.00 0.00 N +ATOM 3374 HH11 ARG 221 7.412 13.644 -1.896 1.00 0.00 +ATOM 3375 HH12 ARG 221 7.997 12.927 -0.432 1.00 0.00 +ATOM 3376 NH2 ARG 221 6.025 13.600 1.062 1.00 0.00 N +ATOM 3377 HH21 ARG 221 5.209 13.914 1.547 1.00 0.00 +ATOM 3378 HH22 ARG 221 6.728 13.083 1.550 1.00 0.00 +ATOM 3379 C ARG 221 2.589 13.667 -5.324 1.00 0.00 C +ATOM 3380 O ARG 221 2.231 14.781 -5.705 1.00 0.00 O +ATOM 3381 N GLN 222 3.278 12.825 -6.114 1.00 0.00 N +ATOM 3382 HN GLN 222 3.483 11.900 -5.793 1.00 0.00 +ATOM 3383 CA GLN 222 3.721 13.241 -7.411 1.00 0.00 C +ATOM 3384 HA GLN 222 4.242 14.072 -7.218 1.00 0.00 +ATOM 3385 CB GLN 222 4.599 12.185 -8.108 1.00 0.00 C +ATOM 3386 HB1 GLN 222 4.950 12.579 -8.957 1.00 0.00 +ATOM 3387 HB2 GLN 222 5.363 11.963 -7.503 1.00 0.00 +ATOM 3388 CG GLN 222 3.877 10.882 -8.455 1.00 0.00 C +ATOM 3389 HG1 GLN 222 3.525 10.454 -7.623 1.00 0.00 +ATOM 3390 HG2 GLN 222 3.120 11.067 -9.081 1.00 0.00 +ATOM 3391 CD GLN 222 4.891 9.960 -9.124 1.00 0.00 C +ATOM 3392 OE1 GLN 222 5.767 9.404 -8.466 1.00 0.00 O +ATOM 3393 NE2 GLN 222 4.776 9.794 -10.469 1.00 0.00 N +ATOM 3394 HE21 GLN 222 4.051 10.266 -10.971 1.00 0.00 +ATOM 3395 HE22 GLN 222 5.416 9.200 -10.956 1.00 0.00 +ATOM 3396 C GLN 222 2.541 13.525 -8.287 1.00 0.00 C +ATOM 3397 O GLN 222 2.548 14.501 -9.033 1.00 0.00 O +ATOM 3398 N THR 223 1.500 12.676 -8.238 1.00 0.00 N +ATOM 3399 HN THR 223 1.508 11.901 -7.606 1.00 0.00 +ATOM 3400 CA THR 223 0.377 12.894 -9.103 1.00 0.00 C +ATOM 3401 HA THR 223 0.832 12.986 -9.989 1.00 0.00 +ATOM 3402 CB THR 223 -0.598 11.750 -9.122 1.00 0.00 C +ATOM 3403 HB THR 223 -1.419 12.000 -9.636 1.00 0.00 +ATOM 3404 OG1 THR 223 -1.076 11.483 -7.813 1.00 0.00 O +ATOM 3405 HG1 THR 223 -1.722 10.721 -7.843 1.00 0.00 +ATOM 3406 CG2 THR 223 0.094 10.511 -9.705 1.00 0.00 C +ATOM 3407 HG21 THR 223 -0.550 9.746 -9.720 1.00 0.00 +ATOM 3408 HG22 THR 223 0.400 10.708 -10.636 1.00 0.00 +ATOM 3409 HG23 THR 223 0.882 10.272 -9.138 1.00 0.00 +ATOM 3410 C THR 223 -0.396 14.129 -8.733 1.00 0.00 C +ATOM 3411 O THR 223 -0.763 14.922 -9.599 1.00 0.00 O +ATOM 3412 N PHE 224 -0.669 14.315 -7.430 1.00 0.00 N +ATOM 3413 HN PHE 224 -0.280 13.674 -6.768 1.00 0.00 +ATOM 3414 CA PHE 224 -1.492 15.388 -6.937 1.00 0.00 C +ATOM 3415 HA PHE 224 -2.251 15.359 -7.588 1.00 0.00 +ATOM 3416 CB PHE 224 -1.998 15.151 -5.499 1.00 0.00 C +ATOM 3417 HB1 PHE 224 -1.241 14.890 -4.901 1.00 0.00 +ATOM 3418 HB2 PHE 224 -2.435 15.976 -5.142 1.00 0.00 +ATOM 3419 CG PHE 224 -3.001 14.038 -5.545 1.00 0.00 C +ATOM 3420 CD1 PHE 224 -2.598 12.723 -5.473 1.00 0.00 C +ATOM 3421 HD1 PHE 224 -1.624 12.514 -5.388 1.00 0.00 +ATOM 3422 CE1 PHE 224 -3.505 11.691 -5.515 1.00 0.00 C +ATOM 3423 HE1 PHE 224 -3.190 10.744 -5.461 1.00 0.00 +ATOM 3424 CZ PHE 224 -4.845 11.965 -5.631 1.00 0.00 C +ATOM 3425 HZ PHE 224 -5.511 11.219 -5.664 1.00 0.00 +ATOM 3426 CD2 PHE 224 -4.349 14.299 -5.659 1.00 0.00 C +ATOM 3427 HD2 PHE 224 -4.666 15.246 -5.711 1.00 0.00 +ATOM 3428 CE2 PHE 224 -5.265 13.272 -5.702 1.00 0.00 C +ATOM 3429 HE2 PHE 224 -6.240 13.478 -5.785 1.00 0.00 +ATOM 3430 C PHE 224 -0.831 16.736 -7.043 1.00 0.00 C +ATOM 3431 O PHE 224 -1.506 17.744 -7.244 1.00 0.00 O +ATOM 3432 N SER 225 0.508 16.793 -6.918 1.00 0.00 N +ATOM 3433 HN SER 225 1.024 15.937 -6.884 1.00 0.00 +ATOM 3434 CA SER 225 1.226 18.038 -6.831 1.00 0.00 C +ATOM 3435 HA SER 225 0.838 18.421 -5.993 1.00 0.00 +ATOM 3436 CB SER 225 2.746 17.837 -6.741 1.00 0.00 C +ATOM 3437 HB1 SER 225 3.072 17.247 -7.480 1.00 0.00 +ATOM 3438 HB2 SER 225 3.224 18.714 -6.779 1.00 0.00 +ATOM 3439 OG SER 225 3.087 17.215 -5.512 1.00 0.00 O +ATOM 3440 HG1 SER 225 4.078 17.090 -5.465 1.00 0.00 +ATOM 3441 C SER 225 0.957 18.958 -7.986 1.00 0.00 C +ATOM 3442 O SER 225 0.797 20.155 -7.749 1.00 0.00 O +ATOM 3443 N PRO 226 0.903 18.530 -9.216 1.00 0.00 N +ATOM 3444 CD PRO 226 1.592 17.340 -9.674 1.00 0.00 C +ATOM 3445 HD1 PRO 226 1.300 16.547 -9.139 1.00 0.00 +ATOM 3446 HD2 PRO 226 2.581 17.459 -9.581 1.00 0.00 +ATOM 3447 CA PRO 226 0.661 19.463 -10.281 1.00 0.00 C +ATOM 3448 HA PRO 226 1.262 20.256 -10.182 1.00 0.00 +ATOM 3449 CB PRO 226 0.959 18.705 -11.579 1.00 0.00 C +ATOM 3450 HB1 PRO 226 0.192 18.786 -12.215 1.00 0.00 +ATOM 3451 HB2 PRO 226 1.788 19.062 -12.010 1.00 0.00 +ATOM 3452 CG PRO 226 1.157 17.237 -11.145 1.00 0.00 C +ATOM 3453 HG1 PRO 226 0.303 16.723 -11.227 1.00 0.00 +ATOM 3454 HG2 PRO 226 1.866 16.795 -11.694 1.00 0.00 +ATOM 3455 C PRO 226 -0.708 20.061 -10.184 1.00 0.00 C +ATOM 3456 O PRO 226 -0.920 21.147 -10.722 1.00 0.00 O +ATOM 3457 N PHE 227 -1.668 19.343 -9.574 1.00 0.00 N +ATOM 3458 HN PHE 227 -1.447 18.433 -9.224 1.00 0.00 +ATOM 3459 CA PHE 227 -3.001 19.849 -9.413 1.00 0.00 C +ATOM 3460 HA PHE 227 -3.165 20.287 -10.297 1.00 0.00 +ATOM 3461 CB PHE 227 -4.032 18.743 -9.151 1.00 0.00 C +ATOM 3462 HB1 PHE 227 -3.801 18.220 -8.331 1.00 0.00 +ATOM 3463 HB2 PHE 227 -4.953 19.122 -9.056 1.00 0.00 +ATOM 3464 CG PHE 227 -3.957 17.869 -10.357 1.00 0.00 C +ATOM 3465 CD1 PHE 227 -4.373 18.318 -11.589 1.00 0.00 C +ATOM 3466 HD1 PHE 227 -4.736 19.245 -11.682 1.00 0.00 +ATOM 3467 CE1 PHE 227 -4.293 17.502 -12.694 1.00 0.00 C +ATOM 3468 HE1 PHE 227 -4.588 17.840 -13.588 1.00 0.00 +ATOM 3469 CZ PHE 227 -3.807 16.221 -12.568 1.00 0.00 C +ATOM 3470 HZ PHE 227 -3.753 15.624 -13.368 1.00 0.00 +ATOM 3471 CD2 PHE 227 -3.479 16.586 -10.239 1.00 0.00 C +ATOM 3472 HD2 PHE 227 -3.189 16.246 -9.345 1.00 0.00 +ATOM 3473 CE2 PHE 227 -3.396 15.765 -11.340 1.00 0.00 C +ATOM 3474 HE2 PHE 227 -3.036 14.837 -11.246 1.00 0.00 +ATOM 3475 C PHE 227 -3.079 20.864 -8.309 1.00 0.00 C +ATOM 3476 O PHE 227 -3.803 21.853 -8.422 1.00 0.00 O +ATOM 3477 N GLY 228 -2.353 20.641 -7.192 1.00 0.00 N +ATOM 3478 HN GLY 228 -1.763 19.837 -7.119 1.00 0.00 +ATOM 3479 CA GLY 228 -2.447 21.583 -6.111 1.00 0.00 C +ATOM 3480 HA1 GLY 228 -2.385 22.508 -6.485 1.00 0.00 +ATOM 3481 HA2 GLY 228 -3.331 21.465 -5.659 1.00 0.00 +ATOM 3482 C GLY 228 -1.329 21.335 -5.145 1.00 0.00 C +ATOM 3483 O GLY 228 -0.614 20.339 -5.241 1.00 0.00 O +ATOM 3484 N GLN 229 -1.164 22.259 -4.175 1.00 0.00 N +ATOM 3485 HN GLN 229 -1.787 23.040 -4.135 1.00 0.00 +ATOM 3486 CA GLN 229 -0.115 22.149 -3.199 1.00 0.00 C +ATOM 3487 HA GLN 229 0.690 21.882 -3.729 1.00 0.00 +ATOM 3488 CB GLN 229 0.150 23.463 -2.449 1.00 0.00 C +ATOM 3489 HB1 GLN 229 0.408 24.163 -3.115 1.00 0.00 +ATOM 3490 HB2 GLN 229 -0.691 23.739 -1.983 1.00 0.00 +ATOM 3491 CG GLN 229 1.263 23.357 -1.408 1.00 0.00 C +ATOM 3492 HG1 GLN 229 1.001 22.713 -0.689 1.00 0.00 +ATOM 3493 HG2 GLN 229 2.110 23.048 -1.840 1.00 0.00 +ATOM 3494 CD GLN 229 1.460 24.742 -0.815 1.00 0.00 C +ATOM 3495 OE1 GLN 229 1.255 24.959 0.378 1.00 0.00 O +ATOM 3496 NE2 GLN 229 1.871 25.712 -1.674 1.00 0.00 N +ATOM 3497 HE21 GLN 229 2.026 25.494 -2.637 1.00 0.00 +ATOM 3498 HE22 GLN 229 2.018 26.644 -1.343 1.00 0.00 +ATOM 3499 C GLN 229 -0.513 21.117 -2.194 1.00 0.00 C +ATOM 3500 O GLN 229 -1.651 21.100 -1.724 1.00 0.00 O +ATOM 3501 N ILE 230 0.440 20.235 -1.817 1.00 0.00 N +ATOM 3502 HN ILE 230 1.376 20.328 -2.156 1.00 0.00 +ATOM 3503 CA ILE 230 0.096 19.164 -0.926 1.00 0.00 C +ATOM 3504 HA ILE 230 -0.903 19.214 -0.935 1.00 0.00 +ATOM 3505 CB ILE 230 0.547 17.797 -1.376 1.00 0.00 C +ATOM 3506 HB ILE 230 1.520 17.829 -1.603 1.00 0.00 +ATOM 3507 CG2 ILE 230 0.295 16.833 -0.207 1.00 0.00 C +ATOM 3508 HG21 ILE 230 0.583 15.911 -0.467 1.00 0.00 +ATOM 3509 HG22 ILE 230 0.818 17.133 0.591 1.00 0.00 +ATOM 3510 HG23 ILE 230 -0.680 16.828 0.016 1.00 0.00 +ATOM 3511 CG1 ILE 230 -0.168 17.348 -2.664 1.00 0.00 C +ATOM 3512 HG11 ILE 230 -0.005 16.369 -2.791 1.00 0.00 +ATOM 3513 HG12 ILE 230 -1.148 17.512 -2.554 1.00 0.00 +ATOM 3514 CD ILE 230 0.288 18.066 -3.928 1.00 0.00 C +ATOM 3515 HD1 ILE 230 -0.224 17.716 -4.713 1.00 0.00 +ATOM 3516 HD2 ILE 230 0.122 19.047 -3.832 1.00 0.00 +ATOM 3517 HD3 ILE 230 1.265 17.905 -4.069 1.00 0.00 +ATOM 3518 C ILE 230 0.686 19.391 0.427 1.00 0.00 C +ATOM 3519 O ILE 230 1.886 19.622 0.577 1.00 0.00 O +ATOM 3520 N MET 231 -0.201 19.479 1.440 1.00 0.00 N +ATOM 3521 HN MET 231 -1.176 19.514 1.220 1.00 0.00 +ATOM 3522 CA MET 231 0.193 19.524 2.817 1.00 0.00 C +ATOM 3523 HA MET 231 0.976 20.145 2.778 1.00 0.00 +ATOM 3524 CB MET 231 -0.918 20.040 3.739 1.00 0.00 C +ATOM 3525 HB1 MET 231 -1.756 19.531 3.542 1.00 0.00 +ATOM 3526 HB2 MET 231 -0.645 19.877 4.687 1.00 0.00 +ATOM 3527 CG MET 231 -1.210 21.530 3.572 1.00 0.00 C +ATOM 3528 HG1 MET 231 -0.330 21.975 3.739 1.00 0.00 +ATOM 3529 HG2 MET 231 -1.456 21.628 2.608 1.00 0.00 +ATOM 3530 SD MET 231 -2.513 22.153 4.677 1.00 0.00 S +ATOM 3531 CE MET 231 -1.642 21.722 6.213 1.00 0.00 C +ATOM 3532 HE1 MET 231 -2.201 21.987 6.999 1.00 0.00 +ATOM 3533 HE2 MET 231 -1.478 20.736 6.238 1.00 0.00 +ATOM 3534 HE3 MET 231 -0.768 22.206 6.247 1.00 0.00 +ATOM 3535 C MET 231 0.584 18.169 3.328 1.00 0.00 C +ATOM 3536 O MET 231 1.614 18.020 3.985 1.00 0.00 O +ATOM 3537 N GLU 232 -0.232 17.132 3.023 1.00 0.00 N +ATOM 3538 HN GLU 232 -1.000 17.257 2.394 1.00 0.00 +ATOM 3539 CA GLU 232 0.023 15.850 3.617 1.00 0.00 C +ATOM 3540 HA GLU 232 1.016 15.849 3.732 1.00 0.00 +ATOM 3541 CB GLU 232 -0.712 15.660 4.951 1.00 0.00 C +ATOM 3542 HB1 GLU 232 -0.427 16.384 5.579 1.00 0.00 +ATOM 3543 HB2 GLU 232 -1.696 15.729 4.786 1.00 0.00 +ATOM 3544 CG GLU 232 -0.428 14.313 5.610 1.00 0.00 C +ATOM 3545 HG1 GLU 232 -0.477 13.580 4.931 1.00 0.00 +ATOM 3546 HG2 GLU 232 0.480 14.319 6.029 1.00 0.00 +ATOM 3547 CD GLU 232 -1.487 14.101 6.675 1.00 0.00 C +ATOM 3548 OE1 GLU 232 -1.391 14.715 7.772 1.00 0.00 O +ATOM 3549 OE2 GLU 232 -2.425 13.313 6.385 1.00 0.00 O +ATOM 3550 C GLU 232 -0.450 14.759 2.708 1.00 0.00 C +ATOM 3551 O GLU 232 -1.398 14.928 1.942 1.00 0.00 O +ATOM 3552 N ILE 233 0.246 13.606 2.771 1.00 0.00 N +ATOM 3553 HN ILE 233 1.045 13.557 3.371 1.00 0.00 +ATOM 3554 CA ILE 233 -0.118 12.450 2.010 1.00 0.00 C +ATOM 3555 HA ILE 233 -0.950 12.697 1.514 1.00 0.00 +ATOM 3556 CB ILE 233 0.947 12.022 1.035 1.00 0.00 C +ATOM 3557 HB ILE 233 1.815 11.903 1.518 1.00 0.00 +ATOM 3558 CG2 ILE 233 0.518 10.678 0.429 1.00 0.00 C +ATOM 3559 HG21 ILE 233 1.210 10.371 -0.224 1.00 0.00 +ATOM 3560 HG22 ILE 233 0.422 9.999 1.157 1.00 0.00 +ATOM 3561 HG23 ILE 233 -0.358 10.789 -0.041 1.00 0.00 +ATOM 3562 CG1 ILE 233 1.199 13.108 -0.025 1.00 0.00 C +ATOM 3563 HG11 ILE 233 1.460 13.953 0.441 1.00 0.00 +ATOM 3564 HG12 ILE 233 1.947 12.808 -0.617 1.00 0.00 +ATOM 3565 CD ILE 233 -0.018 13.400 -0.902 1.00 0.00 C +ATOM 3566 HD1 ILE 233 0.213 14.111 -1.566 1.00 0.00 +ATOM 3567 HD2 ILE 233 -0.288 12.567 -1.386 1.00 0.00 +ATOM 3568 HD3 ILE 233 -0.775 13.712 -0.328 1.00 0.00 +ATOM 3569 C ILE 233 -0.253 11.338 2.995 1.00 0.00 C +ATOM 3570 O ILE 233 0.729 10.923 3.608 1.00 0.00 O +ATOM 3571 N ARG 234 -1.483 10.826 3.176 1.00 0.00 N +ATOM 3572 HN ARG 234 -2.260 11.203 2.672 1.00 0.00 +ATOM 3573 CA ARG 234 -1.679 9.744 4.088 1.00 0.00 C +ATOM 3574 HA ARG 234 -0.799 9.560 4.526 1.00 0.00 +ATOM 3575 CB ARG 234 -2.724 10.070 5.167 1.00 0.00 C +ATOM 3576 HB1 ARG 234 -2.460 10.925 5.614 1.00 0.00 +ATOM 3577 HB2 ARG 234 -3.612 10.186 4.722 1.00 0.00 +ATOM 3578 CG ARG 234 -2.872 9.000 6.244 1.00 0.00 C +ATOM 3579 HG1 ARG 234 -3.307 8.195 5.841 1.00 0.00 +ATOM 3580 HG2 ARG 234 -1.963 8.754 6.581 1.00 0.00 +ATOM 3581 CD ARG 234 -3.720 9.482 7.418 1.00 0.00 C +ATOM 3582 HD1 ARG 234 -4.572 9.892 7.093 1.00 0.00 +ATOM 3583 HD2 ARG 234 -3.930 8.724 8.036 1.00 0.00 +ATOM 3584 NE ARG 234 -2.913 10.506 8.136 1.00 0.00 N +ATOM 3585 HE ARG 234 -1.983 10.287 8.430 1.00 0.00 +ATOM 3586 CZ ARG 234 -3.432 11.740 8.396 1.00 0.00 C +ATOM 3587 NH1 ARG 234 -4.662 12.088 7.918 1.00 0.00 N +ATOM 3588 HH11 ARG 234 -5.189 11.436 7.373 1.00 0.00 +ATOM 3589 HH12 ARG 234 -5.036 12.995 8.113 1.00 0.00 +ATOM 3590 NH2 ARG 234 -2.714 12.630 9.140 1.00 0.00 N +ATOM 3591 HH21 ARG 234 -1.813 12.376 9.491 1.00 0.00 +ATOM 3592 HH22 ARG 234 -3.089 13.536 9.334 1.00 0.00 +ATOM 3593 C ARG 234 -2.182 8.618 3.249 1.00 0.00 C +ATOM 3594 O ARG 234 -3.180 8.774 2.549 1.00 0.00 O +ATOM 3595 N VAL 235 -1.500 7.453 3.289 1.00 0.00 N +ATOM 3596 HN VAL 235 -0.738 7.333 3.925 1.00 0.00 +ATOM 3597 CA VAL 235 -1.885 6.390 2.405 1.00 0.00 C +ATOM 3598 HA VAL 235 -2.726 6.736 1.989 1.00 0.00 +ATOM 3599 CB VAL 235 -0.852 6.089 1.353 1.00 0.00 C +ATOM 3600 HB VAL 235 -1.132 5.306 0.798 1.00 0.00 +ATOM 3601 CG1 VAL 235 -0.734 7.306 0.420 1.00 0.00 C +ATOM 3602 HG11 VAL 235 -0.050 7.120 -0.285 1.00 0.00 +ATOM 3603 HG12 VAL 235 -1.619 7.482 -0.012 1.00 0.00 +ATOM 3604 HG13 VAL 235 -0.457 8.107 0.950 1.00 0.00 +ATOM 3605 CG2 VAL 235 0.471 5.713 2.044 1.00 0.00 C +ATOM 3606 HG21 VAL 235 1.163 5.511 1.351 1.00 0.00 +ATOM 3607 HG22 VAL 235 0.780 6.477 2.611 1.00 0.00 +ATOM 3608 HG23 VAL 235 0.330 4.907 2.619 1.00 0.00 +ATOM 3609 C VAL 235 -2.090 5.128 3.174 1.00 0.00 C +ATOM 3610 O VAL 235 -1.474 4.912 4.216 1.00 0.00 O +ATOM 3611 N PHE 236 -3.023 4.282 2.679 1.00 0.00 N +ATOM 3612 HN PHE 236 -3.559 4.558 1.881 1.00 0.00 +ATOM 3613 CA PHE 236 -3.261 3.000 3.272 1.00 0.00 C +ATOM 3614 HA PHE 236 -2.470 2.829 3.859 1.00 0.00 +ATOM 3615 CB PHE 236 -4.566 2.958 4.081 1.00 0.00 C +ATOM 3616 HB1 PHE 236 -5.348 3.149 3.487 1.00 0.00 +ATOM 3617 HB2 PHE 236 -4.682 2.060 4.506 1.00 0.00 +ATOM 3618 CG PHE 236 -4.496 3.999 5.149 1.00 0.00 C +ATOM 3619 CD1 PHE 236 -3.826 3.767 6.328 1.00 0.00 C +ATOM 3620 HD1 PHE 236 -3.374 2.887 6.474 1.00 0.00 +ATOM 3621 CE1 PHE 236 -3.770 4.730 7.308 1.00 0.00 C +ATOM 3622 HE1 PHE 236 -3.278 4.549 8.160 1.00 0.00 +ATOM 3623 CZ PHE 236 -4.391 5.942 7.116 1.00 0.00 C +ATOM 3624 HZ PHE 236 -4.352 6.644 7.827 1.00 0.00 +ATOM 3625 CD2 PHE 236 -5.116 5.215 4.968 1.00 0.00 C +ATOM 3626 HD2 PHE 236 -5.609 5.397 4.117 1.00 0.00 +ATOM 3627 CE2 PHE 236 -5.064 6.183 5.945 1.00 0.00 C +ATOM 3628 HE2 PHE 236 -5.517 7.063 5.801 1.00 0.00 +ATOM 3629 C PHE 236 -3.431 2.028 2.139 1.00 0.00 C +ATOM 3630 O PHE 236 -4.532 1.861 1.611 1.00 0.00 O +ATOM 3631 N PRO 237 -2.371 1.382 1.746 1.00 0.00 N +ATOM 3632 CD PRO 237 -1.185 1.274 2.577 1.00 0.00 C +ATOM 3633 HD1 PRO 237 -1.454 1.131 3.529 1.00 0.00 +ATOM 3634 HD2 PRO 237 -0.647 2.114 2.505 1.00 0.00 +ATOM 3635 CA PRO 237 -2.387 0.421 0.673 1.00 0.00 C +ATOM 3636 HA PRO 237 -2.738 0.853 -0.158 1.00 0.00 +ATOM 3637 CB PRO 237 -0.944 -0.062 0.566 1.00 0.00 C +ATOM 3638 HB1 PRO 237 -0.909 -1.010 0.249 1.00 0.00 +ATOM 3639 HB2 PRO 237 -0.420 0.518 -0.058 1.00 0.00 +ATOM 3640 CG PRO 237 -0.425 0.062 2.013 1.00 0.00 C +ATOM 3641 HG1 PRO 237 -0.633 -0.763 2.538 1.00 0.00 +ATOM 3642 HG2 PRO 237 0.562 0.225 2.025 1.00 0.00 +ATOM 3643 C PRO 237 -3.304 -0.724 0.990 1.00 0.00 C +ATOM 3644 O PRO 237 -3.939 -1.254 0.080 1.00 0.00 O +ATOM 3645 N ASP 238 -3.360 -1.141 2.267 1.00 0.00 N +ATOM 3646 HN ASP 238 -2.836 -0.647 2.961 1.00 0.00 +ATOM 3647 CA ASP 238 -4.147 -2.271 2.667 1.00 0.00 C +ATOM 3648 HA ASP 238 -3.846 -2.995 2.046 1.00 0.00 +ATOM 3649 CB ASP 238 -3.898 -2.671 4.138 1.00 0.00 C +ATOM 3650 HB1 ASP 238 -4.499 -3.433 4.380 1.00 0.00 +ATOM 3651 HB2 ASP 238 -2.944 -2.951 4.248 1.00 0.00 +ATOM 3652 CG ASP 238 -4.181 -1.499 5.078 1.00 0.00 C +ATOM 3653 OD1 ASP 238 -4.141 -0.324 4.627 1.00 0.00 O +ATOM 3654 OD2 ASP 238 -4.427 -1.773 6.283 1.00 0.00 O +ATOM 3655 C ASP 238 -5.603 -1.991 2.463 1.00 0.00 C +ATOM 3656 O ASP 238 -6.352 -2.853 1.999 1.00 0.00 O +ATOM 3657 N LYS 239 -6.035 -0.782 2.856 1.00 0.00 N +ATOM 3658 HN LYS 239 -5.369 -0.163 3.273 1.00 0.00 +ATOM 3659 CA LYS 239 -7.384 -0.316 2.719 1.00 0.00 C +ATOM 3660 HA LYS 239 -7.956 -1.087 2.999 1.00 0.00 +ATOM 3661 CB LYS 239 -7.646 0.897 3.621 1.00 0.00 C +ATOM 3662 HB1 LYS 239 -6.974 1.609 3.419 1.00 0.00 +ATOM 3663 HB2 LYS 239 -8.566 1.247 3.443 1.00 0.00 +ATOM 3664 CG LYS 239 -7.534 0.503 5.097 1.00 0.00 C +ATOM 3665 HG1 LYS 239 -8.372 0.024 5.357 1.00 0.00 +ATOM 3666 HG2 LYS 239 -6.753 -0.113 5.198 1.00 0.00 +ATOM 3667 CD LYS 239 -7.340 1.674 6.057 1.00 0.00 C +ATOM 3668 HD1 LYS 239 -6.530 2.187 5.772 1.00 0.00 +ATOM 3669 HD2 LYS 239 -8.145 2.265 6.003 1.00 0.00 +ATOM 3670 CE LYS 239 -7.153 1.235 7.511 1.00 0.00 C +ATOM 3671 HE1 LYS 239 -8.038 1.013 7.920 1.00 0.00 +ATOM 3672 HE2 LYS 239 -6.556 0.434 7.554 1.00 0.00 +ATOM 3673 NZ LYS 239 -6.534 2.329 8.287 1.00 0.00 N +ATOM 3674 HZ1 LYS 239 -6.414 2.038 9.236 1.00 0.00 +ATOM 3675 HZ2 LYS 239 -5.643 2.555 7.892 1.00 0.00 +ATOM 3676 HZ3 LYS 239 -7.126 3.135 8.258 1.00 0.00 +ATOM 3677 C LYS 239 -7.661 0.029 1.284 1.00 0.00 C +ATOM 3678 O LYS 239 -8.789 -0.105 0.812 1.00 0.00 O +ATOM 3679 N GLY 240 -6.637 0.501 0.548 1.00 0.00 N +ATOM 3680 HN GLY 240 -5.735 0.619 0.964 1.00 0.00 +ATOM 3681 CA GLY 240 -6.839 0.836 -0.835 1.00 0.00 C +ATOM 3682 HA1 GLY 240 -5.974 0.708 -1.320 1.00 0.00 +ATOM 3683 HA2 GLY 240 -7.528 0.217 -1.212 1.00 0.00 +ATOM 3684 C GLY 240 -7.298 2.259 -0.962 1.00 0.00 C +ATOM 3685 O GLY 240 -8.012 2.598 -1.906 1.00 0.00 O +ATOM 3686 N TYR 241 -6.944 3.134 0.002 1.00 0.00 N +ATOM 3687 HN TYR 241 -6.426 2.835 0.803 1.00 0.00 +ATOM 3688 CA TYR 241 -7.333 4.506 -0.157 1.00 0.00 C +ATOM 3689 HA TYR 241 -7.399 4.608 -1.150 1.00 0.00 +ATOM 3690 CB TYR 241 -8.685 4.854 0.493 1.00 0.00 C +ATOM 3691 HB1 TYR 241 -8.983 5.757 0.184 1.00 0.00 +ATOM 3692 HB2 TYR 241 -9.368 4.171 0.233 1.00 0.00 +ATOM 3693 CG TYR 241 -8.585 4.876 1.985 1.00 0.00 C +ATOM 3694 CD1 TYR 241 -8.553 3.716 2.727 1.00 0.00 C +ATOM 3695 HD1 TYR 241 -8.588 2.829 2.266 1.00 0.00 +ATOM 3696 CE1 TYR 241 -8.473 3.772 4.103 1.00 0.00 C +ATOM 3697 HE1 TYR 241 -8.442 2.924 4.631 1.00 0.00 +ATOM 3698 CZ TYR 241 -8.436 4.982 4.756 1.00 0.00 C +ATOM 3699 OH TYR 241 -8.358 5.054 6.165 1.00 0.00 O +ATOM 3700 HH TYR 241 -8.342 6.013 6.449 1.00 0.00 +ATOM 3701 CD2 TYR 241 -8.552 6.078 2.650 1.00 0.00 C +ATOM 3702 HD2 TYR 241 -8.588 6.928 2.124 1.00 0.00 +ATOM 3703 CE2 TYR 241 -8.471 6.141 4.022 1.00 0.00 C +ATOM 3704 HE2 TYR 241 -8.438 7.028 4.483 1.00 0.00 +ATOM 3705 C TYR 241 -6.277 5.386 0.440 1.00 0.00 C +ATOM 3706 O TYR 241 -5.376 4.918 1.136 1.00 0.00 O +ATOM 3707 N SER 242 -6.351 6.701 0.147 1.00 0.00 N +ATOM 3708 HN SER 242 -7.085 7.036 -0.444 1.00 0.00 +ATOM 3709 CA SER 242 -5.388 7.624 0.674 1.00 0.00 C +ATOM 3710 HA SER 242 -5.064 7.195 1.517 1.00 0.00 +ATOM 3711 CB SER 242 -4.221 7.888 -0.293 1.00 0.00 C +ATOM 3712 HB1 SER 242 -4.554 8.249 -1.164 1.00 0.00 +ATOM 3713 HB2 SER 242 -3.566 8.530 0.105 1.00 0.00 +ATOM 3714 OG SER 242 -3.528 6.677 -0.564 1.00 0.00 O +ATOM 3715 HG1 SER 242 -2.772 6.859 -1.193 1.00 0.00 +ATOM 3716 C SER 242 -6.079 8.928 0.900 1.00 0.00 C +ATOM 3717 O SER 242 -7.125 9.208 0.311 1.00 0.00 O +ATOM 3718 N PHE 243 -5.518 9.755 1.804 1.00 0.00 N +ATOM 3719 HN PHE 243 -4.717 9.453 2.322 1.00 0.00 +ATOM 3720 CA PHE 243 -6.057 11.060 2.030 1.00 0.00 C +ATOM 3721 HA PHE 243 -6.924 11.059 1.532 1.00 0.00 +ATOM 3722 CB PHE 243 -6.286 11.409 3.514 1.00 0.00 C +ATOM 3723 HB1 PHE 243 -5.452 11.236 4.039 1.00 0.00 +ATOM 3724 HB2 PHE 243 -6.542 12.371 3.603 1.00 0.00 +ATOM 3725 CG PHE 243 -7.386 10.567 4.072 1.00 0.00 C +ATOM 3726 CD1 PHE 243 -8.694 10.817 3.729 1.00 0.00 C +ATOM 3727 HD1 PHE 243 -8.904 11.563 3.097 1.00 0.00 +ATOM 3728 CE1 PHE 243 -9.718 10.056 4.243 1.00 0.00 C +ATOM 3729 HE1 PHE 243 -10.664 10.244 3.979 1.00 0.00 +ATOM 3730 CZ PHE 243 -9.437 9.037 5.120 1.00 0.00 C +ATOM 3731 HZ PHE 243 -10.177 8.481 5.497 1.00 0.00 +ATOM 3732 CD2 PHE 243 -7.114 9.551 4.960 1.00 0.00 C +ATOM 3733 HD2 PHE 243 -6.169 9.368 5.231 1.00 0.00 +ATOM 3734 CE2 PHE 243 -8.134 8.785 5.477 1.00 0.00 C +ATOM 3735 HE2 PHE 243 -7.926 8.043 6.114 1.00 0.00 +ATOM 3736 C PHE 243 -5.026 12.017 1.542 1.00 0.00 C +ATOM 3737 O PHE 243 -3.876 11.990 1.982 1.00 0.00 O +ATOM 3738 N VAL 244 -5.411 12.895 0.598 1.00 0.00 N +ATOM 3739 HN VAL 244 -6.338 12.865 0.225 1.00 0.00 +ATOM 3740 CA VAL 244 -4.477 13.869 0.138 1.00 0.00 C +ATOM 3741 HA VAL 244 -3.578 13.562 0.452 1.00 0.00 +ATOM 3742 CB VAL 244 -4.425 13.998 -1.361 1.00 0.00 C +ATOM 3743 HB VAL 244 -5.316 14.279 -1.717 1.00 0.00 +ATOM 3744 CG1 VAL 244 -3.403 15.084 -1.735 1.00 0.00 C +ATOM 3745 HG11 VAL 244 -3.363 15.175 -2.730 1.00 0.00 +ATOM 3746 HG12 VAL 244 -3.680 15.956 -1.331 1.00 0.00 +ATOM 3747 HG13 VAL 244 -2.501 14.827 -1.387 1.00 0.00 +ATOM 3748 CG2 VAL 244 -4.076 12.625 -1.959 1.00 0.00 C +ATOM 3749 HG21 VAL 244 -4.038 12.696 -2.956 1.00 0.00 +ATOM 3750 HG22 VAL 244 -3.187 12.326 -1.612 1.00 0.00 +ATOM 3751 HG23 VAL 244 -4.776 11.960 -1.698 1.00 0.00 +ATOM 3752 C VAL 244 -4.930 15.170 0.711 1.00 0.00 C +ATOM 3753 O VAL 244 -6.056 15.614 0.487 1.00 0.00 O +ATOM 3754 N ARG 245 -4.040 15.808 1.491 1.00 0.00 N +ATOM 3755 HN ARG 245 -3.131 15.414 1.628 1.00 0.00 +ATOM 3756 CA ARG 245 -4.377 17.045 2.128 1.00 0.00 C +ATOM 3757 HA ARG 245 -5.372 17.001 2.217 1.00 0.00 +ATOM 3758 CB ARG 245 -3.692 17.269 3.487 1.00 0.00 C +ATOM 3759 HB1 ARG 245 -2.714 17.092 3.374 1.00 0.00 +ATOM 3760 HB2 ARG 245 -3.830 18.224 3.750 1.00 0.00 +ATOM 3761 CG ARG 245 -4.191 16.397 4.634 1.00 0.00 C +ATOM 3762 HG1 ARG 245 -4.125 15.439 4.354 1.00 0.00 +ATOM 3763 HG2 ARG 245 -3.603 16.553 5.428 1.00 0.00 +ATOM 3764 CD ARG 245 -5.634 16.682 5.040 1.00 0.00 C +ATOM 3765 HD1 ARG 245 -5.806 17.667 5.052 1.00 0.00 +ATOM 3766 HD2 ARG 245 -6.269 16.241 4.407 1.00 0.00 +ATOM 3767 NE ARG 245 -5.829 16.127 6.406 1.00 0.00 N +ATOM 3768 HE ARG 245 -5.866 16.745 7.192 1.00 0.00 +ATOM 3769 CZ ARG 245 -5.958 14.783 6.596 1.00 0.00 C +ATOM 3770 NH1 ARG 245 -5.664 13.912 5.588 1.00 0.00 N +ATOM 3771 HH11 ARG 245 -5.352 14.258 4.703 1.00 0.00 +ATOM 3772 HH12 ARG 245 -5.761 12.927 5.734 1.00 0.00 +ATOM 3773 NH2 ARG 245 -6.374 14.309 7.804 1.00 0.00 N +ATOM 3774 HH21 ARG 245 -6.583 14.946 8.546 1.00 0.00 +ATOM 3775 HH22 ARG 245 -6.470 13.324 7.948 1.00 0.00 +ATOM 3776 C ARG 245 -3.840 18.127 1.267 1.00 0.00 C +ATOM 3777 O ARG 245 -2.653 18.148 0.948 1.00 0.00 O +ATOM 3778 N PHE 246 -4.714 19.069 0.884 1.00 0.00 N +ATOM 3779 HN PHE 246 -5.673 19.006 1.159 1.00 0.00 +ATOM 3780 CA PHE 246 -4.268 20.162 0.082 1.00 0.00 C +ATOM 3781 HA PHE 246 -3.350 19.876 -0.191 1.00 0.00 +ATOM 3782 CB PHE 246 -5.121 20.428 -1.169 1.00 0.00 C +ATOM 3783 HB1 PHE 246 -6.090 20.273 -0.977 1.00 0.00 +ATOM 3784 HB2 PHE 246 -4.991 21.365 -1.494 1.00 0.00 +ATOM 3785 CG PHE 246 -4.662 19.472 -2.213 1.00 0.00 C +ATOM 3786 CD1 PHE 246 -5.172 18.197 -2.290 1.00 0.00 C +ATOM 3787 HD1 PHE 246 -5.867 17.899 -1.636 1.00 0.00 +ATOM 3788 CE1 PHE 246 -4.731 17.330 -3.261 1.00 0.00 C +ATOM 3789 HE1 PHE 246 -5.111 16.406 -3.312 1.00 0.00 +ATOM 3790 CZ PHE 246 -3.771 17.724 -4.162 1.00 0.00 C +ATOM 3791 HZ PHE 246 -3.454 17.091 -4.868 1.00 0.00 +ATOM 3792 CD2 PHE 246 -3.694 19.855 -3.114 1.00 0.00 C +ATOM 3793 HD2 PHE 246 -3.308 20.776 -3.059 1.00 0.00 +ATOM 3794 CE2 PHE 246 -3.250 18.994 -4.086 1.00 0.00 C +ATOM 3795 HE2 PHE 246 -2.550 19.289 -4.736 1.00 0.00 +ATOM 3796 C PHE 246 -4.255 21.390 0.913 1.00 0.00 C +ATOM 3797 O PHE 246 -4.878 21.465 1.971 1.00 0.00 O +ATOM 3798 N ASN 247 -3.453 22.366 0.456 1.00 0.00 N +ATOM 3799 HN ASN 247 -2.933 22.205 -0.383 1.00 0.00 +ATOM 3800 CA ASN 247 -3.311 23.625 1.118 1.00 0.00 C +ATOM 3801 HA ASN 247 -3.117 23.391 2.071 1.00 0.00 +ATOM 3802 CB ASN 247 -2.167 24.463 0.524 1.00 0.00 C +ATOM 3803 HB1 ASN 247 -1.354 23.893 0.401 1.00 0.00 +ATOM 3804 HB2 ASN 247 -2.444 24.843 -0.358 1.00 0.00 +ATOM 3805 CG ASN 247 -1.851 25.595 1.486 1.00 0.00 C +ATOM 3806 OD1 ASN 247 -1.017 25.452 2.380 1.00 0.00 O +ATOM 3807 ND2 ASN 247 -2.533 26.755 1.296 1.00 0.00 N +ATOM 3808 HD21 ASN 247 -3.200 26.827 0.554 1.00 0.00 +ATOM 3809 HD22 ASN 247 -2.368 27.536 1.898 1.00 0.00 +ATOM 3810 C ASN 247 -4.594 24.385 0.994 1.00 0.00 C +ATOM 3811 O ASN 247 -5.026 25.041 1.942 1.00 0.00 O +ATOM 3812 N SER 248 -5.250 24.316 -0.183 1.00 0.00 N +ATOM 3813 HN SER 248 -4.909 23.737 -0.923 1.00 0.00 +ATOM 3814 CA SER 248 -6.447 25.090 -0.353 1.00 0.00 C +ATOM 3815 HA SER 248 -6.678 25.352 0.584 1.00 0.00 +ATOM 3816 CB SER 248 -6.245 26.335 -1.231 1.00 0.00 C +ATOM 3817 HB1 SER 248 -7.095 26.855 -1.312 1.00 0.00 +ATOM 3818 HB2 SER 248 -5.529 26.923 -0.856 1.00 0.00 +ATOM 3819 OG SER 248 -5.847 25.956 -2.540 1.00 0.00 O +ATOM 3820 HG1 SER 248 -5.719 26.775 -3.100 1.00 0.00 +ATOM 3821 C SER 248 -7.517 24.246 -0.978 1.00 0.00 C +ATOM 3822 O SER 248 -7.253 23.172 -1.519 1.00 0.00 O +ATOM 3823 N HIS 249 -8.774 24.729 -0.885 1.00 0.00 N +ATOM 3824 HN HIS 249 -8.895 25.628 -0.465 1.00 0.00 +ATOM 3825 CA HIS 249 -9.952 24.045 -1.346 1.00 0.00 C +ATOM 3826 HA HIS 249 -9.834 23.147 -0.922 1.00 0.00 +ATOM 3827 CB HIS 249 -11.255 24.736 -0.907 1.00 0.00 C +ATOM 3828 HB1 HIS 249 -11.246 24.849 0.087 1.00 0.00 +ATOM 3829 HB2 HIS 249 -11.312 25.634 -1.344 1.00 0.00 +ATOM 3830 ND1 HIS 249 -13.031 23.930 -2.540 1.00 0.00 N +ATOM 3831 CG HIS 249 -12.489 23.961 -1.275 1.00 0.00 C +ATOM 3832 CE1 HIS 249 -14.143 23.155 -2.474 1.00 0.00 C +ATOM 3833 HE1 HIS 249 -14.736 22.962 -3.256 1.00 0.00 +ATOM 3834 NE2 HIS 249 -14.352 22.685 -1.257 1.00 0.00 N +ATOM 3835 HE2 HIS 249 -15.098 22.095 -0.948 1.00 0.00 +ATOM 3836 CD2 HIS 249 -13.306 23.192 -0.505 1.00 0.00 C +ATOM 3837 HD2 HIS 249 -13.170 23.017 0.470 1.00 0.00 +ATOM 3838 C HIS 249 -9.992 23.929 -2.840 1.00 0.00 C +ATOM 3839 O HIS 249 -10.392 22.897 -3.379 1.00 0.00 O +ATOM 3840 N GLU 250 -9.598 24.993 -3.558 1.00 0.00 N +ATOM 3841 HN GLU 250 -9.262 25.809 -3.088 1.00 0.00 +ATOM 3842 CA GLU 250 -9.653 24.973 -4.987 1.00 0.00 C +ATOM 3843 HA GLU 250 -10.603 24.749 -5.205 1.00 0.00 +ATOM 3844 CB GLU 250 -9.295 26.327 -5.624 1.00 0.00 C +ATOM 3845 HB1 GLU 250 -9.299 26.217 -6.618 1.00 0.00 +ATOM 3846 HB2 GLU 250 -9.993 26.993 -5.359 1.00 0.00 +ATOM 3847 CG GLU 250 -7.931 26.884 -5.216 1.00 0.00 C +ATOM 3848 HG1 GLU 250 -7.267 26.138 -5.165 1.00 0.00 +ATOM 3849 HG2 GLU 250 -7.628 27.555 -5.892 1.00 0.00 +ATOM 3850 CD GLU 250 -8.050 27.555 -3.850 1.00 0.00 C +ATOM 3851 OE1 GLU 250 -9.163 27.545 -3.260 1.00 0.00 O +ATOM 3852 OE2 GLU 250 -7.017 28.099 -3.381 1.00 0.00 O +ATOM 3853 C GLU 250 -8.715 23.917 -5.469 1.00 0.00 C +ATOM 3854 O GLU 250 -9.025 23.174 -6.400 1.00 0.00 O +ATOM 3855 N SER 251 -7.546 23.809 -4.813 1.00 0.00 N +ATOM 3856 HN SER 251 -7.358 24.427 -4.050 1.00 0.00 +ATOM 3857 CA SER 251 -6.563 22.834 -5.177 1.00 0.00 C +ATOM 3858 HA SER 251 -6.320 23.070 -6.118 1.00 0.00 +ATOM 3859 CB SER 251 -5.338 22.857 -4.247 1.00 0.00 C +ATOM 3860 HB1 SER 251 -5.615 22.770 -3.290 1.00 0.00 +ATOM 3861 HB2 SER 251 -4.701 22.122 -4.478 1.00 0.00 +ATOM 3862 OG SER 251 -4.642 24.087 -4.382 1.00 0.00 O +ATOM 3863 HG1 SER 251 -3.849 24.090 -3.773 1.00 0.00 +ATOM 3864 C SER 251 -7.176 21.477 -5.037 1.00 0.00 C +ATOM 3865 O SER 251 -6.974 20.608 -5.882 1.00 0.00 O +ATOM 3866 N ALA 252 -7.938 21.258 -3.952 1.00 0.00 N +ATOM 3867 HN ALA 252 -8.102 22.008 -3.311 1.00 0.00 +ATOM 3868 CA ALA 252 -8.521 19.973 -3.693 1.00 0.00 C +ATOM 3869 HA ALA 252 -7.726 19.368 -3.738 1.00 0.00 +ATOM 3870 CB ALA 252 -9.211 19.890 -2.321 1.00 0.00 C +ATOM 3871 HB1 ALA 252 -9.597 18.976 -2.197 1.00 0.00 +ATOM 3872 HB2 ALA 252 -8.542 20.070 -1.600 1.00 0.00 +ATOM 3873 HB3 ALA 252 -9.943 20.570 -2.274 1.00 0.00 +ATOM 3874 C ALA 252 -9.534 19.624 -4.742 1.00 0.00 C +ATOM 3875 O ALA 252 -9.581 18.484 -5.200 1.00 0.00 O +ATOM 3876 N ALA 253 -10.380 20.597 -5.134 1.00 0.00 N +ATOM 3877 HN ALA 253 -10.275 21.508 -4.734 1.00 0.00 +ATOM 3878 CA ALA 253 -11.428 20.389 -6.101 1.00 0.00 C +ATOM 3879 HA ALA 253 -11.933 19.607 -5.736 1.00 0.00 +ATOM 3880 CB ALA 253 -12.355 21.605 -6.267 1.00 0.00 C +ATOM 3881 HB1 ALA 253 -13.057 21.398 -6.948 1.00 0.00 +ATOM 3882 HB2 ALA 253 -12.791 21.814 -5.392 1.00 0.00 +ATOM 3883 HB3 ALA 253 -11.819 22.394 -6.569 1.00 0.00 +ATOM 3884 C ALA 253 -10.813 20.105 -7.434 1.00 0.00 C +ATOM 3885 O ALA 253 -11.309 19.294 -8.211 1.00 0.00 O +ATOM 3886 N HIS 254 -9.708 20.792 -7.745 1.00 0.00 N +ATOM 3887 HN HIS 254 -9.341 21.452 -7.090 1.00 0.00 +ATOM 3888 CA HIS 254 -9.041 20.601 -8.997 1.00 0.00 C +ATOM 3889 HA HIS 254 -9.731 20.807 -9.691 1.00 0.00 +ATOM 3890 CB HIS 254 -7.804 21.516 -9.111 1.00 0.00 C +ATOM 3891 HB1 HIS 254 -8.097 22.465 -8.996 1.00 0.00 +ATOM 3892 HB2 HIS 254 -7.161 21.275 -8.384 1.00 0.00 +ATOM 3893 ND1 HIS 254 -7.494 22.012 -11.583 1.00 0.00 N +ATOM 3894 CG HIS 254 -7.062 21.430 -10.414 1.00 0.00 C +ATOM 3895 CE1 HIS 254 -6.549 21.756 -12.523 1.00 0.00 C +ATOM 3896 HE1 HIS 254 -6.608 22.067 -13.472 1.00 0.00 +ATOM 3897 NE2 HIS 254 -5.543 21.050 -12.041 1.00 0.00 N +ATOM 3898 HE2 HIS 254 -4.728 20.735 -12.527 1.00 0.00 +ATOM 3899 CD2 HIS 254 -5.870 20.844 -10.712 1.00 0.00 C +ATOM 3900 HD2 HIS 254 -5.308 20.335 -10.060 1.00 0.00 +ATOM 3901 C HIS 254 -8.564 19.182 -9.082 1.00 0.00 C +ATOM 3902 O HIS 254 -8.681 18.541 -10.125 1.00 0.00 O +ATOM 3903 N ALA 255 -8.017 18.647 -7.975 1.00 0.00 N +ATOM 3904 HN ALA 255 -8.014 19.186 -7.133 1.00 0.00 +ATOM 3905 CA ALA 255 -7.438 17.333 -7.954 1.00 0.00 C +ATOM 3906 HA ALA 255 -6.752 17.373 -8.681 1.00 0.00 +ATOM 3907 CB ALA 255 -6.815 16.998 -6.586 1.00 0.00 C +ATOM 3908 HB1 ALA 255 -6.424 16.078 -6.614 1.00 0.00 +ATOM 3909 HB2 ALA 255 -6.095 17.660 -6.377 1.00 0.00 +ATOM 3910 HB3 ALA 255 -7.521 17.039 -5.879 1.00 0.00 +ATOM 3911 C ALA 255 -8.477 16.296 -8.246 1.00 0.00 C +ATOM 3912 O ALA 255 -8.250 15.381 -9.038 1.00 0.00 O +ATOM 3913 N ILE 256 -9.656 16.426 -7.618 1.00 0.00 N +ATOM 3914 HN ILE 256 -9.792 17.212 -7.015 1.00 0.00 +ATOM 3915 CA ILE 256 -10.730 15.488 -7.772 1.00 0.00 C +ATOM 3916 HA ILE 256 -10.342 14.580 -7.616 1.00 0.00 +ATOM 3917 CB ILE 256 -11.786 15.719 -6.721 1.00 0.00 C +ATOM 3918 HB ILE 256 -12.604 15.178 -6.919 1.00 0.00 +ATOM 3919 CG2 ILE 256 -11.240 15.270 -5.358 1.00 0.00 C +ATOM 3920 HG21 ILE 256 -11.935 15.420 -4.655 1.00 0.00 +ATOM 3921 HG22 ILE 256 -11.008 14.298 -5.396 1.00 0.00 +ATOM 3922 HG23 ILE 256 -10.421 15.800 -5.136 1.00 0.00 +ATOM 3923 CG1 ILE 256 -12.193 17.189 -6.744 1.00 0.00 C +ATOM 3924 HG11 ILE 256 -11.359 17.740 -6.766 1.00 0.00 +ATOM 3925 HG12 ILE 256 -12.721 17.350 -7.578 1.00 0.00 +ATOM 3926 CD ILE 256 -13.030 17.661 -5.567 1.00 0.00 C +ATOM 3927 HD1 ILE 256 -13.242 18.632 -5.677 1.00 0.00 +ATOM 3928 HD2 ILE 256 -13.880 17.136 -5.531 1.00 0.00 +ATOM 3929 HD3 ILE 256 -12.518 17.526 -4.719 1.00 0.00 +ATOM 3930 C ILE 256 -11.250 15.493 -9.179 1.00 0.00 C +ATOM 3931 O ILE 256 -11.477 14.428 -9.749 1.00 0.00 O +ATOM 3932 N VAL 257 -11.416 16.670 -9.808 1.00 0.00 N +ATOM 3933 HN VAL 257 -11.172 17.527 -9.354 1.00 0.00 +ATOM 3934 CA VAL 257 -11.949 16.677 -11.141 1.00 0.00 C +ATOM 3935 HA VAL 257 -12.835 16.225 -11.033 1.00 0.00 +ATOM 3936 CB VAL 257 -12.170 18.051 -11.717 1.00 0.00 C +ATOM 3937 HB VAL 257 -12.509 17.987 -12.656 1.00 0.00 +ATOM 3938 CG1 VAL 257 -13.241 18.757 -10.874 1.00 0.00 C +ATOM 3939 HG11 VAL 257 -13.403 19.673 -11.240 1.00 0.00 +ATOM 3940 HG12 VAL 257 -14.090 18.230 -10.905 1.00 0.00 +ATOM 3941 HG13 VAL 257 -12.927 18.827 -9.927 1.00 0.00 +ATOM 3942 CG2 VAL 257 -10.836 18.810 -11.795 1.00 0.00 C +ATOM 3943 HG21 VAL 257 -10.992 19.720 -12.178 1.00 0.00 +ATOM 3944 HG22 VAL 257 -10.448 18.897 -10.878 1.00 0.00 +ATOM 3945 HG23 VAL 257 -10.200 18.307 -12.380 1.00 0.00 +ATOM 3946 C VAL 257 -11.016 15.945 -12.050 1.00 0.00 C +ATOM 3947 O VAL 257 -11.451 15.222 -12.944 1.00 0.00 O +ATOM 3948 N SER 258 -9.702 16.158 -11.871 1.00 0.00 N +ATOM 3949 HN SER 258 -9.409 16.757 -11.126 1.00 0.00 +ATOM 3950 CA SER 258 -8.702 15.557 -12.710 1.00 0.00 C +ATOM 3951 HA SER 258 -9.107 15.689 -13.615 1.00 0.00 +ATOM 3952 CB SER 258 -7.335 16.242 -12.568 1.00 0.00 C +ATOM 3953 HB1 SER 258 -7.047 16.272 -11.611 1.00 0.00 +ATOM 3954 HB2 SER 258 -6.640 15.770 -13.110 1.00 0.00 +ATOM 3955 OG SER 258 -7.418 17.579 -13.038 1.00 0.00 O +ATOM 3956 HG1 SER 258 -6.526 18.021 -12.944 1.00 0.00 +ATOM 3957 C SER 258 -8.508 14.088 -12.439 1.00 0.00 C +ATOM 3958 O SER 258 -8.557 13.274 -13.357 1.00 0.00 O +ATOM 3959 N VAL 259 -8.267 13.723 -11.163 1.00 0.00 N +ATOM 3960 HN VAL 259 -8.331 14.432 -10.461 1.00 0.00 +ATOM 3961 CA VAL 259 -7.923 12.385 -10.730 1.00 0.00 C +ATOM 3962 HA VAL 259 -7.236 12.138 -11.414 1.00 0.00 +ATOM 3963 CB VAL 259 -7.352 12.357 -9.342 1.00 0.00 C +ATOM 3964 HB VAL 259 -7.999 12.726 -8.675 1.00 0.00 +ATOM 3965 CG1 VAL 259 -7.078 10.890 -8.965 1.00 0.00 C +ATOM 3966 HG11 VAL 259 -6.696 10.849 -8.042 1.00 0.00 +ATOM 3967 HG12 VAL 259 -7.933 10.373 -8.996 1.00 0.00 +ATOM 3968 HG13 VAL 259 -6.426 10.495 -9.613 1.00 0.00 +ATOM 3969 CG2 VAL 259 -6.097 13.249 -9.319 1.00 0.00 C +ATOM 3970 HG21 VAL 259 -5.701 13.244 -8.401 1.00 0.00 +ATOM 3971 HG22 VAL 259 -5.427 12.898 -9.973 1.00 0.00 +ATOM 3972 HG23 VAL 259 -6.348 14.184 -9.568 1.00 0.00 +ATOM 3973 C VAL 259 -9.063 11.403 -10.776 1.00 0.00 C +ATOM 3974 O VAL 259 -8.858 10.203 -10.945 1.00 0.00 O +ATOM 3975 N ASN 260 -10.303 11.895 -10.669 1.00 0.00 N +ATOM 3976 HN ASN 260 -10.409 12.886 -10.750 1.00 0.00 +ATOM 3977 CA ASN 260 -11.496 11.123 -10.448 1.00 0.00 C +ATOM 3978 HA ASN 260 -11.286 10.723 -9.556 1.00 0.00 +ATOM 3979 CB ASN 260 -12.743 12.022 -10.480 1.00 0.00 C +ATOM 3980 HB1 ASN 260 -12.539 12.900 -10.047 1.00 0.00 +ATOM 3981 HB2 ASN 260 -13.026 12.175 -11.427 1.00 0.00 +ATOM 3982 CG ASN 260 -13.868 11.335 -9.721 1.00 0.00 C +ATOM 3983 OD1 ASN 260 -13.709 10.238 -9.187 1.00 0.00 O +ATOM 3984 ND2 ASN 260 -15.037 12.021 -9.650 1.00 0.00 N +ATOM 3985 HD21 ASN 260 -15.117 12.919 -10.082 1.00 0.00 +ATOM 3986 HD22 ASN 260 -15.819 11.628 -9.166 1.00 0.00 +ATOM 3987 C ASN 260 -11.736 10.011 -11.442 1.00 0.00 C +ATOM 3988 O ASN 260 -12.635 9.213 -11.239 1.00 0.00 O +ATOM 3989 N GLY 261 -11.199 10.071 -12.659 1.00 0.00 N +ATOM 3990 HN GLY 261 -10.677 10.889 -12.900 1.00 0.00 +ATOM 3991 CA GLY 261 -11.323 9.030 -13.653 1.00 0.00 C +ATOM 3992 HA1 GLY 261 -12.141 8.500 -13.428 1.00 0.00 +ATOM 3993 HA2 GLY 261 -11.449 9.478 -14.538 1.00 0.00 +ATOM 3994 C GLY 261 -10.174 8.100 -13.756 1.00 0.00 C +ATOM 3995 O GLY 261 -10.312 6.988 -14.258 1.00 0.00 O +ATOM 3996 N THR 262 -9.002 8.620 -13.371 1.00 0.00 N +ATOM 3997 HN THR 262 -9.047 9.437 -12.796 1.00 0.00 +ATOM 3998 CA THR 262 -7.693 8.140 -13.689 1.00 0.00 C +ATOM 3999 HA THR 262 -7.657 8.163 -14.688 1.00 0.00 +ATOM 4000 CB THR 262 -6.663 9.033 -13.046 1.00 0.00 C +ATOM 4001 HB THR 262 -6.759 8.987 -12.052 1.00 0.00 +ATOM 4002 OG1 THR 262 -6.910 10.376 -13.431 1.00 0.00 O +ATOM 4003 HG1 THR 262 -6.230 10.975 -13.008 1.00 0.00 +ATOM 4004 CG2 THR 262 -5.245 8.651 -13.486 1.00 0.00 C +ATOM 4005 HG21 THR 262 -4.584 9.258 -13.045 1.00 0.00 +ATOM 4006 HG22 THR 262 -5.057 7.705 -13.221 1.00 0.00 +ATOM 4007 HG23 THR 262 -5.169 8.740 -14.479 1.00 0.00 +ATOM 4008 C THR 262 -7.465 6.735 -13.246 1.00 0.00 C +ATOM 4009 O THR 262 -8.222 6.161 -12.467 1.00 0.00 O +ATOM 4010 N THR 263 -6.412 6.120 -13.816 1.00 0.00 N +ATOM 4011 HN THR 263 -5.889 6.586 -14.530 1.00 0.00 +ATOM 4012 CA THR 263 -6.041 4.810 -13.406 1.00 0.00 C +ATOM 4013 HA THR 263 -6.700 4.559 -12.697 1.00 0.00 +ATOM 4014 CB THR 263 -6.132 3.788 -14.497 1.00 0.00 C +ATOM 4015 HB THR 263 -7.026 3.840 -14.943 1.00 0.00 +ATOM 4016 OG1 THR 263 -6.061 2.489 -13.937 1.00 0.00 O +ATOM 4017 HG1 THR 263 -6.122 1.808 -14.667 1.00 0.00 +ATOM 4018 CG2 THR 263 -4.980 3.989 -15.493 1.00 0.00 C +ATOM 4019 HG21 THR 263 -5.044 3.305 -16.220 1.00 0.00 +ATOM 4020 HG22 THR 263 -5.039 4.905 -15.891 1.00 0.00 +ATOM 4021 HG23 THR 263 -4.106 3.888 -15.017 1.00 0.00 +ATOM 4022 C THR 263 -4.622 4.886 -12.934 1.00 0.00 C +ATOM 4023 O THR 263 -3.772 5.512 -13.568 1.00 0.00 O +ATOM 4024 N ILE 264 -4.349 4.262 -11.769 1.00 0.00 N +ATOM 4025 HN ILE 264 -5.093 3.787 -11.298 1.00 0.00 +ATOM 4026 CA ILE 264 -3.046 4.246 -11.173 1.00 0.00 C +ATOM 4027 HA ILE 264 -2.502 4.905 -11.692 1.00 0.00 +ATOM 4028 CB ILE 264 -3.078 4.607 -9.712 1.00 0.00 C +ATOM 4029 HB ILE 264 -3.686 3.977 -9.229 1.00 0.00 +ATOM 4030 CG2 ILE 264 -1.657 4.457 -9.141 1.00 0.00 C +ATOM 4031 HG21 ILE 264 -1.661 4.694 -8.169 1.00 0.00 +ATOM 4032 HG22 ILE 264 -1.351 3.511 -9.252 1.00 0.00 +ATOM 4033 HG23 ILE 264 -1.035 5.068 -9.630 1.00 0.00 +ATOM 4034 CG1 ILE 264 -3.673 6.008 -9.504 1.00 0.00 C +ATOM 4035 HG11 ILE 264 -4.588 6.028 -9.907 1.00 0.00 +ATOM 4036 HG12 ILE 264 -3.738 6.183 -8.522 1.00 0.00 +ATOM 4037 CD ILE 264 -2.848 7.127 -10.135 1.00 0.00 C +ATOM 4038 HD1 ILE 264 -3.291 8.006 -9.962 1.00 0.00 +ATOM 4039 HD2 ILE 264 -1.931 7.131 -9.735 1.00 0.00 +ATOM 4040 HD3 ILE 264 -2.781 6.976 -11.121 1.00 0.00 +ATOM 4041 C ILE 264 -2.574 2.824 -11.216 1.00 0.00 C +ATOM 4042 O ILE 264 -3.171 1.951 -10.588 1.00 0.00 O +ATOM 4043 N GLU 265 -1.505 2.557 -11.993 1.00 0.00 N +ATOM 4044 HN GLU 265 -1.135 3.298 -12.553 1.00 0.00 +ATOM 4045 CA GLU 265 -0.866 1.273 -12.065 1.00 0.00 C +ATOM 4046 HA GLU 265 -0.295 1.382 -12.878 1.00 0.00 +ATOM 4047 CB GLU 265 0.008 0.952 -10.828 1.00 0.00 C +ATOM 4048 HB1 GLU 265 0.378 0.030 -10.939 1.00 0.00 +ATOM 4049 HB2 GLU 265 0.759 1.611 -10.798 1.00 0.00 +ATOM 4050 CG GLU 265 -0.713 1.005 -9.475 1.00 0.00 C +ATOM 4051 HG1 GLU 265 -0.081 1.327 -8.769 1.00 0.00 +ATOM 4052 HG2 GLU 265 -1.493 1.628 -9.533 1.00 0.00 +ATOM 4053 CD GLU 265 -1.207 -0.389 -9.113 1.00 0.00 C +ATOM 4054 OE1 GLU 265 -0.522 -1.377 -9.490 1.00 0.00 O +ATOM 4055 OE2 GLU 265 -2.273 -0.482 -8.448 1.00 0.00 O +ATOM 4056 C GLU 265 -1.851 0.167 -12.306 1.00 0.00 C +ATOM 4057 O GLU 265 -1.656 -0.951 -11.829 1.00 0.00 O +ATOM 4058 N GLY 266 -2.909 0.420 -13.100 1.00 0.00 N +ATOM 4059 HN GLY 266 -3.057 1.339 -13.464 1.00 0.00 +ATOM 4060 CA GLY 266 -3.824 -0.641 -13.420 1.00 0.00 C +ATOM 4061 HA1 GLY 266 -4.007 -0.609 -14.403 1.00 0.00 +ATOM 4062 HA2 GLY 266 -3.385 -1.510 -13.191 1.00 0.00 +ATOM 4063 C GLY 266 -5.106 -0.500 -12.657 1.00 0.00 C +ATOM 4064 O GLY 266 -6.142 -0.994 -13.099 1.00 0.00 O +ATOM 4065 N HIS 267 -5.098 0.184 -11.501 1.00 0.00 N +ATOM 4066 HN HIS 267 -4.260 0.597 -11.144 1.00 0.00 +ATOM 4067 CA HIS 267 -6.346 0.295 -10.801 1.00 0.00 C +ATOM 4068 HA HIS 267 -6.865 -0.485 -11.151 1.00 0.00 +ATOM 4069 CB HIS 267 -6.231 0.211 -9.271 1.00 0.00 C +ATOM 4070 HB1 HIS 267 -5.482 0.799 -8.966 1.00 0.00 +ATOM 4071 HB2 HIS 267 -7.088 0.522 -8.860 1.00 0.00 +ATOM 4072 ND1 HIS 267 -4.711 -1.755 -8.717 1.00 0.00 N +ATOM 4073 HD1 HIS 267 -3.846 -1.338 -8.995 1.00 0.00 +ATOM 4074 CG HIS 267 -5.959 -1.177 -8.778 1.00 0.00 C +ATOM 4075 CE1 HIS 267 -4.883 -3.001 -8.206 1.00 0.00 C +ATOM 4076 HE1 HIS 267 -4.136 -3.647 -8.051 1.00 0.00 +ATOM 4077 NE2 HIS 267 -6.149 -3.262 -7.937 1.00 0.00 N +ATOM 4078 CD2 HIS 267 -6.827 -2.110 -8.300 1.00 0.00 C +ATOM 4079 HD2 HIS 267 -7.816 -1.982 -8.222 1.00 0.00 +ATOM 4080 C HIS 267 -6.962 1.612 -11.128 1.00 0.00 C +ATOM 4081 O HIS 267 -6.308 2.654 -11.074 1.00 0.00 O +ATOM 4082 N VAL 268 -8.259 1.591 -11.499 1.00 0.00 N +ATOM 4083 HN VAL 268 -8.754 0.725 -11.569 1.00 0.00 +ATOM 4084 CA VAL 268 -8.915 2.833 -11.792 1.00 0.00 C +ATOM 4085 HA VAL 268 -8.272 3.348 -12.358 1.00 0.00 +ATOM 4086 CB VAL 268 -10.191 2.692 -12.574 1.00 0.00 C +ATOM 4087 HB VAL 268 -10.818 2.060 -12.119 1.00 0.00 +ATOM 4088 CG1 VAL 268 -10.886 4.064 -12.646 1.00 0.00 C +ATOM 4089 HG11 VAL 268 -11.737 3.980 -13.165 1.00 0.00 +ATOM 4090 HG12 VAL 268 -11.090 4.383 -11.721 1.00 0.00 +ATOM 4091 HG13 VAL 268 -10.282 4.720 -13.099 1.00 0.00 +ATOM 4092 CG2 VAL 268 -9.842 2.116 -13.959 1.00 0.00 C +ATOM 4093 HG21 VAL 268 -10.678 2.014 -14.498 1.00 0.00 +ATOM 4094 HG22 VAL 268 -9.216 2.737 -14.430 1.00 0.00 +ATOM 4095 HG23 VAL 268 -9.405 1.223 -13.848 1.00 0.00 +ATOM 4096 C VAL 268 -9.229 3.468 -10.481 1.00 0.00 C +ATOM 4097 O VAL 268 -9.856 2.870 -9.609 1.00 0.00 O +ATOM 4098 N VAL 269 -8.791 4.725 -10.312 1.00 0.00 N +ATOM 4099 HN VAL 269 -8.337 5.204 -11.063 1.00 0.00 +ATOM 4100 CA VAL 269 -8.976 5.374 -9.055 1.00 0.00 C +ATOM 4101 HA VAL 269 -9.107 4.598 -8.439 1.00 0.00 +ATOM 4102 CB VAL 269 -7.798 6.188 -8.623 1.00 0.00 C +ATOM 4103 HB VAL 269 -7.979 6.651 -7.755 1.00 0.00 +ATOM 4104 CG1 VAL 269 -6.614 5.231 -8.410 1.00 0.00 C +ATOM 4105 HG11 VAL 269 -5.812 5.753 -8.120 1.00 0.00 +ATOM 4106 HG12 VAL 269 -6.849 4.562 -7.705 1.00 0.00 +ATOM 4107 HG13 VAL 269 -6.411 4.756 -9.266 1.00 0.00 +ATOM 4108 CG2 VAL 269 -7.539 7.282 -9.673 1.00 0.00 C +ATOM 4109 HG21 VAL 269 -6.752 7.833 -9.394 1.00 0.00 +ATOM 4110 HG22 VAL 269 -7.350 6.857 -10.558 1.00 0.00 +ATOM 4111 HG23 VAL 269 -8.346 7.868 -9.750 1.00 0.00 +ATOM 4112 C VAL 269 -10.159 6.272 -9.074 1.00 0.00 C +ATOM 4113 O VAL 269 -10.579 6.777 -10.118 1.00 0.00 O +ATOM 4114 N LYS 270 -10.743 6.462 -7.875 1.00 0.00 N +ATOM 4115 HN LYS 270 -10.416 5.981 -7.062 1.00 0.00 +ATOM 4116 CA LYS 270 -11.841 7.368 -7.799 1.00 0.00 C +ATOM 4117 HA LYS 270 -11.872 7.810 -8.696 1.00 0.00 +ATOM 4118 CB LYS 270 -13.186 6.688 -7.558 1.00 0.00 C +ATOM 4119 HB1 LYS 270 -13.293 5.939 -8.212 1.00 0.00 +ATOM 4120 HB2 LYS 270 -13.204 6.323 -6.627 1.00 0.00 +ATOM 4121 CG LYS 270 -14.346 7.655 -7.727 1.00 0.00 C +ATOM 4122 HG1 LYS 270 -14.556 8.073 -6.843 1.00 0.00 +ATOM 4123 HG2 LYS 270 -14.088 8.367 -8.380 1.00 0.00 +ATOM 4124 CD LYS 270 -15.578 6.933 -8.241 1.00 0.00 C +ATOM 4125 HD1 LYS 270 -15.845 6.233 -7.579 1.00 0.00 +ATOM 4126 HD2 LYS 270 -16.322 7.593 -8.346 1.00 0.00 +ATOM 4127 CE LYS 270 -15.299 6.271 -9.589 1.00 0.00 C +ATOM 4128 HE1 LYS 270 -14.883 5.372 -9.450 1.00 0.00 +ATOM 4129 HE2 LYS 270 -16.151 6.168 -10.103 1.00 0.00 +ATOM 4130 NZ LYS 270 -14.366 7.113 -10.375 1.00 0.00 N +ATOM 4131 HZ1 LYS 270 -14.186 6.677 -11.257 1.00 0.00 +ATOM 4132 HZ2 LYS 270 -14.775 8.013 -10.526 1.00 0.00 +ATOM 4133 HZ3 LYS 270 -13.508 7.217 -9.873 1.00 0.00 +ATOM 4134 C LYS 270 -11.551 8.333 -6.703 1.00 0.00 C +ATOM 4135 O LYS 270 -11.001 7.971 -5.666 1.00 0.00 O +ATOM 4136 N CYS 271 -11.894 9.615 -6.916 1.00 0.00 N +ATOM 4137 HN CYS 271 -12.377 9.881 -7.750 1.00 0.00 +ATOM 4138 CA CYS 271 -11.556 10.588 -5.931 1.00 0.00 C +ATOM 4139 HA CYS 271 -11.339 10.044 -5.120 1.00 0.00 +ATOM 4140 CB CYS 271 -10.371 11.467 -6.343 1.00 0.00 C +ATOM 4141 HB1 CYS 271 -10.640 11.887 -7.210 1.00 0.00 +ATOM 4142 HB2 CYS 271 -10.305 12.172 -5.637 1.00 0.00 +ATOM 4143 SG CYS 271 -8.850 10.488 -6.490 1.00 0.00 S +ATOM 4144 HG1 CYS 271 -8.094 11.085 -6.759 1.00 0.00 +ATOM 4145 C CYS 271 -12.721 11.481 -5.724 1.00 0.00 C +ATOM 4146 O CYS 271 -13.427 11.834 -6.668 1.00 0.00 O +ATOM 4147 N TYR 272 -12.946 11.839 -4.446 1.00 0.00 N +ATOM 4148 HN TYR 272 -12.334 11.482 -3.740 1.00 0.00 +ATOM 4149 CA TYR 272 -14.010 12.700 -4.044 1.00 0.00 C +ATOM 4150 HA TYR 272 -14.220 13.263 -4.843 1.00 0.00 +ATOM 4151 CB TYR 272 -15.263 11.958 -3.586 1.00 0.00 C +ATOM 4152 HB1 TYR 272 -15.044 11.328 -2.841 1.00 0.00 +ATOM 4153 HB2 TYR 272 -15.961 12.606 -3.281 1.00 0.00 +ATOM 4154 CG TYR 272 -15.778 11.189 -4.746 1.00 0.00 C +ATOM 4155 CD1 TYR 272 -16.075 11.829 -5.930 1.00 0.00 C +ATOM 4156 HD1 TYR 272 -15.920 12.813 -6.013 1.00 0.00 +ATOM 4157 CE1 TYR 272 -16.581 11.130 -6.996 1.00 0.00 C +ATOM 4158 HE1 TYR 272 -16.786 11.597 -7.856 1.00 0.00 +ATOM 4159 CZ TYR 272 -16.803 9.781 -6.868 1.00 0.00 C +ATOM 4160 OH TYR 272 -17.329 9.055 -7.950 1.00 0.00 O +ATOM 4161 HH TYR 272 -17.428 8.094 -7.690 1.00 0.00 +ATOM 4162 CD2 TYR 272 -15.999 9.839 -4.630 1.00 0.00 C +ATOM 4163 HD2 TYR 272 -15.792 9.370 -3.772 1.00 0.00 +ATOM 4164 CE2 TYR 272 -16.504 9.135 -5.694 1.00 0.00 C +ATOM 4165 HE2 TYR 272 -16.655 8.150 -5.614 1.00 0.00 +ATOM 4166 C TYR 272 -13.490 13.418 -2.843 1.00 0.00 C +ATOM 4167 O TYR 272 -12.290 13.379 -2.571 1.00 0.00 O +ATOM 4168 N TRP 273 -14.380 14.110 -2.100 1.00 0.00 N +ATOM 4169 HN TRP 273 -15.343 14.140 -2.369 1.00 0.00 +ATOM 4170 CA TRP 273 -13.938 14.802 -0.922 1.00 0.00 C +ATOM 4171 HA TRP 273 -13.143 15.296 -1.274 1.00 0.00 +ATOM 4172 CB TRP 273 -14.959 15.779 -0.308 1.00 0.00 C +ATOM 4173 HB1 TRP 273 -15.818 15.291 -0.156 1.00 0.00 +ATOM 4174 HB2 TRP 273 -14.603 16.107 0.567 1.00 0.00 +ATOM 4175 CG TRP 273 -15.263 16.985 -1.157 1.00 0.00 C +ATOM 4176 CD1 TRP 273 -16.443 17.369 -1.720 1.00 0.00 C +ATOM 4177 HD1 TRP 273 -17.312 16.884 -1.621 1.00 0.00 +ATOM 4178 NE1 TRP 273 -16.260 18.521 -2.444 1.00 0.00 N +ATOM 4179 HE1 TRP 273 -16.970 19.013 -2.948 1.00 0.00 +ATOM 4180 CE2 TRP 273 -14.935 18.886 -2.360 1.00 0.00 C +ATOM 4181 CD2 TRP 273 -14.281 17.949 -1.564 1.00 0.00 C +ATOM 4182 CE3 TRP 273 -12.942 18.038 -1.306 1.00 0.00 C +ATOM 4183 HE3 TRP 273 -12.474 17.358 -0.742 1.00 0.00 +ATOM 4184 CZ3 TRP 273 -12.263 19.103 -1.855 1.00 0.00 C +ATOM 4185 HZ3 TRP 273 -11.284 19.206 -1.678 1.00 0.00 +ATOM 4186 CZ2 TRP 273 -14.257 19.931 -2.918 1.00 0.00 C +ATOM 4187 HZ2 TRP 273 -14.719 20.599 -3.502 1.00 0.00 +ATOM 4188 CH2 TRP 273 -12.910 20.029 -2.645 1.00 0.00 C +ATOM 4189 HH2 TRP 273 -12.389 20.791 -3.030 1.00 0.00 +ATOM 4190 C TRP 273 -13.619 13.807 0.148 1.00 0.00 C +ATOM 4191 O TRP 273 -14.193 12.721 0.219 1.00 0.00 O +ATOM 4192 N GLY 274 -12.669 14.175 1.028 1.00 0.00 N +ATOM 4193 HN GLY 274 -12.239 15.073 0.937 1.00 0.00 +ATOM 4194 CA GLY 274 -12.261 13.305 2.093 1.00 0.00 C +ATOM 4195 HA1 GLY 274 -12.854 12.500 2.109 1.00 0.00 +ATOM 4196 HA2 GLY 274 -11.315 13.019 1.943 1.00 0.00 +ATOM 4197 C GLY 274 -12.386 14.080 3.359 1.00 0.00 C +ATOM 4198 O GLY 274 -12.892 15.199 3.375 1.00 0.00 O +ATOM 4199 N LYS 275 -11.940 13.497 4.480 1.00 0.00 N +ATOM 4200 HN LYS 275 -11.523 12.588 4.467 1.00 0.00 +ATOM 4201 CA LYS 275 -12.087 14.233 5.694 1.00 0.00 C +ATOM 4202 HA LYS 275 -12.664 15.016 5.464 1.00 0.00 +ATOM 4203 CB LYS 275 -12.764 13.417 6.813 1.00 0.00 C +ATOM 4204 HB1 LYS 275 -13.361 12.735 6.390 1.00 0.00 +ATOM 4205 HB2 LYS 275 -12.053 12.955 7.342 1.00 0.00 +ATOM 4206 CG LYS 275 -13.607 14.259 7.777 1.00 0.00 C +ATOM 4207 HG1 LYS 275 -14.461 14.507 7.319 1.00 0.00 +ATOM 4208 HG2 LYS 275 -13.811 13.707 8.586 1.00 0.00 +ATOM 4209 CD LYS 275 -12.919 15.541 8.233 1.00 0.00 C +ATOM 4210 HD1 LYS 275 -13.357 15.868 9.070 1.00 0.00 +ATOM 4211 HD2 LYS 275 -11.955 15.349 8.415 1.00 0.00 +ATOM 4212 CE LYS 275 -13.024 16.620 7.153 1.00 0.00 C +ATOM 4213 HE1 LYS 275 -12.597 16.297 6.309 1.00 0.00 +ATOM 4214 HE2 LYS 275 -13.985 16.833 6.980 1.00 0.00 +ATOM 4215 NZ LYS 275 -12.342 17.861 7.572 1.00 0.00 N +ATOM 4216 HZ1 LYS 275 -12.426 18.548 6.850 1.00 0.00 +ATOM 4217 HZ2 LYS 275 -12.764 18.206 8.411 1.00 0.00 +ATOM 4218 HZ3 LYS 275 -11.375 17.670 7.739 1.00 0.00 +ATOM 4219 C LYS 275 -10.665 14.575 6.144 1.00 0.00 C +ATOM 4220 OT1 LYS 275 -9.863 13.627 6.367 1.00 0.00 O +ATOM 4221 OT2 LYS 275 -10.353 15.788 6.265 1.00 0.00 O +TER +ENDMDL diff --git a/examples/two_IDR_MDP/input/domains.yaml b/examples/two_IDR_MDP/input/domains.yaml new file mode 100644 index 0000000..5cad63e --- /dev/null +++ b/examples/two_IDR_MDP/input/domains.yaml @@ -0,0 +1,5 @@ +TIA1: + - [6,82] + - [95,172] + - [190,275] + diff --git a/examples/two_IDR_MDP/input/idr.fasta b/examples/two_IDR_MDP/input/idr.fasta new file mode 100644 index 0000000..b0db852 --- /dev/null +++ b/examples/two_IDR_MDP/input/idr.fasta @@ -0,0 +1,2 @@ +>Tau35 +EPPKSGDRSGYSSPGSPGTPGSRSRTPSLPTPPTREPKKVAVVRTPPKSPSSAKSRLQTAPVPMPDLKNVKSKIGSTENLKHQPGGGKVQIINKKLDLSNVQSKCGSKDNIKHVPGGGSVQIVYKPVDLSKVTSKCGSLGNIHHKPGGGQVEVKSEKLDFKDRVQSKIGSLDNITHVPGGGNKKIETHKLTFRENAKAKTDHGAEIVYKSPVVSGDTSPRHLSNVSSTGSIDMVDSPQLATLADEVSASLAKQGL diff --git a/examples/two_IDR_MDP/input/residues_CALVADOS3.csv b/examples/two_IDR_MDP/input/residues_CALVADOS3.csv new file mode 100644 index 0000000..5444ee2 --- /dev/null +++ b/examples/two_IDR_MDP/input/residues_CALVADOS3.csv @@ -0,0 +1,21 @@ +one,three,MW,lambdas,sigmas,q,bondlength +R,ARG,156.19,0.7407902764839954,0.656,1,0.38 +D,ASP,115.09,0.092587557536158,0.558,-1,0.38 +N,ASN,114.1,0.3706962163690402,0.568,0,0.38 +E,GLU,129.11,0.000249590539426,0.592,-1,0.38 +K,LYS,128.17,0.1380602542039267,0.636,1,0.38 +H,HIS,137.14,0.4087176216525476,0.608,0,0.38 +Q,GLN,128.13,0.3143449791669133,0.602,0,0.38 +S,SER,87.08,0.4473142572693176,0.518,0,0.38 +C,CYS,103.14,0.5922529084601322,0.548,0,0.38 +G,GLY,57.05,0.7538308115197386,0.45,0,0.38 +T,THR,101.11,0.2672387936544146,0.562,0,0.38 +A,ALA,71.07,0.3377244362031627,0.504,0,0.38 +M,MET,131.2,0.5170874160398543,0.618,0,0.38 +Y,TYR,163.18,0.950628687301107,0.646,0,0.38 +V,VAL,99.13,0.2936174211771383,0.586,0,0.38 +W,TRP,186.22,1.033450123574512,0.678,0,0.38 +L,LEU,113.16,0.5548615312993875,0.618,0,0.38 +I,ILE,113.16,0.5130398874425708,0.618,0,0.38 +P,PRO,97.12,0.3469777523519372,0.556,0,0.38 +F,PHE,147.18,0.8906449355499866,0.636,0,0.38 diff --git a/examples/two_IDR_MDP/prepare.py b/examples/two_IDR_MDP/prepare.py new file mode 100644 index 0000000..f6436ce --- /dev/null +++ b/examples/two_IDR_MDP/prepare.py @@ -0,0 +1,85 @@ +import os +import pandas as pd +from calvados.cfg import Config, Job, Components +import subprocess +import numpy as np +from argparse import ArgumentParser + +parser = ArgumentParser() +parser.add_argument('--name_1',nargs='?',required=True,type=str) +parser.add_argument('--name_2',nargs='?',required=True,type=str) +args = parser.parse_args() + +cwd = os.getcwd() +sysname = f'{args.name_1:s}_{args.name_2:s}' + +# set the side length of the cubic box +L = 30 + +# set the saving interval (number of integration steps) +N_save = 1000 + +# set final number of frames to save +N_frames = 1000 + +residues_file = f'{cwd}/input/residues_CALVADOS3.csv' + +config = Config( + # GENERAL + sysname = sysname, # name of simulation system + box = [L, L, L], # nm + temp = 293, # K + ionic = 0.15, # molar + pH = 7.0, # 7.5 + topol = 'random', + + # RUNTIME SETTINGS + wfreq = N_save, # dcd writing interval, 1 = 10 fs + steps = N_frames*N_save, # number of simulation steps + runtime = 0, # overwrites 'steps' keyword if > 0 + platform = 'CPU', # or CUDA + restart = 'checkpoint', + frestart = 'restart.chk', + verbose = True, +) + +# PATH +path = f'{cwd}/{sysname:s}' +subprocess.run(f'mkdir -p {path}',shell=True) +subprocess.run(f'mkdir -p data',shell=True) + +analyses = f""" +from calvados.analysis import calc_com_traj, calc_contact_map + +chainid_dict = dict({args.name_1:s} = 0, {args.name_2:s} = 1) +calc_com_traj(path="{path:s}",sysname="{sysname:s}",output_path="data",residues_file="{residues_file:s}",chainid_dict=chainid_dict,start=100) +calc_contact_map(path="{path:s}",sysname="{sysname:s}",output_path="data",chainid_dict=chainid_dict) +""" + +config.write(path,name='config.yaml',analyses=analyses) + +components = Components( + # Defaults + molecule_type = 'protein', + nmol = 1, # number of molecules + restraint = True, # apply restraints + charge_termini = 'both', # charge N or C or both + + # INPUT + fresidues = residues_file, # residue definitions + ffasta = f'{cwd}/input/idr.fasta', # residue definitions + fdomains = f'{cwd}/input/domains.yaml', # domain definitions (harmonic restraints) + pdb_folder = f'{cwd}/input', # directory for pdb and PAE files + + # RESTRAINTS + restraint_type = 'harmonic', # harmonic or go + use_com = True, # apply on centers of mass instead of CA + colabfold = 1, # PAE format (EBI AF=0, Colabfold=1&2) + k_harmonic = 700., # Restraint force constant +) + +components.add(name=args.name_1, restraint=False, use_com=False) +components.add(name=args.name_2) + +components.write(path,name='components.yaml') + diff --git a/setup.py b/setup.py index 981e002..ea4ac5e 100644 --- a/setup.py +++ b/setup.py @@ -11,7 +11,7 @@ setup( name='calvados', - version='0.6.1', + version='0.7.0', description='Coarse-grained implicit-solvent simulations of biomolecules', url='https://github.com/KULL-Centre/CALVADOS', authors=[ diff --git a/tests/data/cres.txt b/tests/data/cres.txt new file mode 100644 index 0000000..ce4cec4 --- /dev/null +++ b/tests/data/cres.txt @@ -0,0 +1 @@ +cres_test 1 1 | cres_test 1 10 | 1.0 700.0 diff --git a/tests/data/fastalib.fasta b/tests/data/fastalib.fasta index fd2dac4..59188a5 100644 --- a/tests/data/fastalib.fasta +++ b/tests/data/fastalib.fasta @@ -10,3 +10,5 @@ D R >rrrrrr rrrrrr +>cres_test +AAAAAAAAAA diff --git a/tests/test_custom_restraints.py b/tests/test_custom_restraints.py new file mode 100644 index 0000000..3e3707f --- /dev/null +++ b/tests/test_custom_restraints.py @@ -0,0 +1,112 @@ +import pytest +import numpy as np +import os +import pandas as pd +from calvados.cfg import Config, Job, Components +from calvados import sim +import subprocess +import numpy as np +import mdtraj as md + +import openmm + +def bond_check(i: int, j: int): + """ Define bonded term conditions. """ + + condition0 = (i%2 == 0) # phosphate + condition1 = (j == i+2) # phosphate -- phosphate + condition2 = (j == i+1) # phosphate -- base + + condition = condition0 and (condition1 or condition2) + return condition + +@pytest.mark.parametrize( + ("name"), + [ + ("cres_test"), + ], +) + +def test_cres(name): + + cwd = os.getcwd() + + sysname = f'{name:s}' + + # set the side length of the cubic box + L = 8 + + # set the temperature + temp = 298 + + # set ionic strength + ionic = 0.15 + + # set the saving interval (number of integration steps) + N_save = 10 + + # set final number of frames to save + N_frames = 10 + + residues_file = f'{cwd}/tests/data/residues_CALVADOS2.csv' + fasta_file = f'{cwd}/tests/data/fastalib.fasta' + + config = Config( + # GENERAL + sysname = sysname, # name of simulation system + box = [L, L, L], # nm + temp = temp, # K + ionic = ionic, # molar + pH = 7.0, + topol = 'grid', + + # RUNTIME SETTINGS + wfreq = N_save, # dcd writing interval, 1 = 10 fs + logfreq = N_save, # log file writing interval, 1 = 10 fs + steps = N_frames*N_save, # number of simulation steps + platform = 'CPU', # or CUDA + restart = None, + verbose = True, + report_potential_energy = False, # True, + random_number_seed = 12345, + + custom_restraints = True, + custom_restraint_type = 'harmonic', + fcustom_restraints = f'{cwd}/tests/data/cres.txt', + ) + + # PATH + path = f'{cwd}/tests/data/{sysname:s}' + + subprocess.run(f'mkdir -p {path}',shell=True) + + config.write(path,name='config.yaml') + + components = Components( + # Defaults + nmol = 1, # number of molecules + fresidues = residues_file, # residue definitions + ffasta = fasta_file, # domain definitions (harmonic restraints) + restraint = False, + charge_termini = 'none', + ) + components.add(name=name, molecule_type='protein') + + components.write(path,name='components.yaml') + + sim.run(path=path,fconfig='config.yaml',fcomponents='components.yaml') + + system = openmm.XmlSerializer.deserialize(open(f"{cwd}/tests/data/{sysname}/{sysname}.xml").read()) + + force = system.getForces()[3] + N = force.getNumBonds() + + f = force.getBondParameters(0) + i, j = f[0], f[1] + + assert (N == 1) and (i == 0) and (j == 9) + + # for idx in range(N): + # f = force.getBondParameters(idx) + # i, j = f[0], f[1] + # assert bond_check(i,j) \ No newline at end of file diff --git a/tests/test_potentials.py b/tests/test_potentials.py index 18fc9f1..76e43c4 100644 --- a/tests/test_potentials.py +++ b/tests/test_potentials.py @@ -119,8 +119,9 @@ def test_ah_dh_potentials(resname1,resname2): u_dh = DHSP(dist,yukawa_eps,lD,4) u_calc = u_ah + u_dh abs_err = np.abs(u_calc-u) + u_abs = np.abs(u) print('Distance of max abs error:',dist[abs_err.argmax()]) print('Distance of max abs error / sigma_ij:',dist[abs_err.argmax()]/sigma_ij) - print('Max Relative Error:',(abs_err[u>0]/u[u>0]).max()) + print('Max Relative Error:',(abs_err[u_abs>0]/u_abs[u_abs>0]).max()) assert np.allclose(u,u_calc,rtol=1e-3,atol=1e-8)